N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one

C187H397N27O16 — CID 157371903

IUPACN',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one
SMILESC1CNCOC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)CCC1CCOCC1.CC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)CC1CCOCC1.CC(C)N1CCCC1=O.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(CCO)CC1.CC(C)N1CCNCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NCCN(C)C.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCOC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCOCC1.CC(C)OCCN1CCN(C)CC1.CC1CN(C(C)C)CCN1C.CCC1CCCN(C)C1.CCC1CCCOC1.CCC1CCOCC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2O.C10H20N2O.2C10H22N2.C10H21NO.C10H21N.C10H20O.C9H18N2O.C9H20N2O.2C9H20N2.2C9H19NO.C8H17N.2C8H16O2.C7H16N2.C7H18N2.C7H13NO.2C7H14O.C4H9NO/c1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11(3)8-10-4-6-12-7-5-10;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)11-6-5-10(4)9(3)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-3-8-5-4-6-9(2)7-8;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-6-9(3)4;1-6(2)8-5-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-5-4-6-3-1/h10H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);2*9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;9,12H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6H,3-5H2,1-2H3;2*7H,2-6H2,1H3;5H,1-4H2
InChIKeyBJWDTEFISYJYKC-UHFFFAOYSA-N
MW3280.41 g/mol
LogP27.49
Rot. Bonds42

About N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one

N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one (PubChem CID 157371903) has the molecular formula C187H397N27O16 and a molecular weight of 3280.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound NameN',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one
PubChem CID157371903
Molecular FormulaC187H397N27O16
Molecular Weight3280.41 g/mol
Exact Mass3278.11
IUPAC NameN',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one
SMILESC1CNCOC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)CCC1CCOCC1.CC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)CC1CCOCC1.CC(C)N1CCCC1=O.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(CCO)CC1.CC(C)N1CCNCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NCCN(C)C.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCOC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCOCC1.CC(C)OCCN1CCN(C)CC1.CC1CN(C(C)C)CCN1C.CCC1CCCN(C)C1.CCC1CCCOC1.CCC1CCOCC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2O.C10H20N2O.2C10H22N2.C10H21NO.C10H21N.C10H20O.C9H18N2O.C9H20N2O.2C9H20N2.2C9H19NO.C8H17N.2C8H16O2.C7H16N2.C7H18N2.C7H13NO.2C7H14O.C4H9NO/c1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11(3)8-10-4-6-12-7-5-10;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)11-6-5-10(4)9(3)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-3-8-5-4-6-9(2)7-8;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-6-9(3)4;1-6(2)8-5-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-5-4-6-3-1/h10H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);2*9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;9,12H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6H,3-5H2,1-2H3;2*7H,2-6H2,1H3;5H,1-4H2
InChIKeyBJWDTEFISYJYKC-UHFFFAOYSA-N
XLogP27.49
TPSA304.84 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003280.41
LogP ≤ 527.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 157402993
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;ethylcyclohexane;3-ethyl-1-methylpiperidine;4-ethyloxane;3-methylbutylcyclohexane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;piperidine;propan-2-yloxycyclohexane;3-propan-2-yloxyoxane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidin-3-one;1-propan-2-yl-4-propylpiperazine;1-propan-2-ylpyrrolidin-2-one
CID 157994695
cis-(1R,2S)-N,N-dimethyl-2-(2-methylpropyl)cyclohexan-1-amine;1-cyclohexyl-4-propan-2-ylpiperazine;1-cyclohexyl-N-propan-2-ylpiperidin-3-amine;N,1-dimethyl-N-propan-2-ylazetidin-3-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-propan-2-ylazetidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 158110018
N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethylazetidine;3-ethyl-1-methylpiperidine;3-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-3-(2-methylpropyl)azetidine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;1-propan-2-ylazetidine;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidin-2-one
CID 158952010
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;1-propan-2-ylpyrrolidin-2-one
CID 160047766
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;4-(2-methylpropyl)oxane;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 160893013
cis-(1R,2S)-N,N-dimethyl-2-(2-methylpropyl)cyclohexan-1-amine;1-cyclohexyl-4-propan-2-ylpiperazine;1-cyclohexyl-N-propan-2-ylpiperidin-3-amine;N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-methylazetidin-3-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-propan-2-ylazetidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 161606777
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1-N,1-N-dimethyl-2-N-propan-2-ylpropane-1,2-diamine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-methylazetidin-3-amine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-1-propan-2-ylazetidin-3-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-propan-2-ylpyrrolidin-2-one
CID 162124365

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one (CID 157371903) is N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one is C1CNCOC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)CCC1CCOCC1.CC(C)N(C)C1CCCCC1.CC(C)N(C)C1CCN(C)CC1.CC(C)N(C)CC1CCOCC1.CC(C)N1CCCC1=O.CC(C)N1CCN(C(C)C)CC1.CC(C)N1CCN(CCO)CC1.CC(C)N1CCNCC1.CC(C)NC(=O)C1CCN(C)CC1.CC(C)NCCN(C)C.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCOC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCOCC1.CC(C)OCCN1CCN(C)CC1.CC1CN(C(C)C)CCN1C.CCC1CCCN(C)C1.CCC1CCCOC1.CCC1CCOCC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one?
The InChIKey is BJWDTEFISYJYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C10H20N2O.2C10H22N2.C10H21NO.C10H21N.C10H20O.C9H18N2O.C9H20N2O.2C9H20N2.2C9H19NO.C8H17N.2C8H16O2.C7H16N2.C7H18N2.C7H13NO.2C7H14O.C4H9NO/c1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-8(2)11-10(13)9-4-6-12(3)7-5-9;1-9(2)12(4)10-5-7-11(3)8-6-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11(3)8-10-4-6-12-7-5-10;1-9(2)11(3)10-7-5-4-6-8-10;1-9(2)3-4-10-5-7-11-8-6-10;1-8(2)9(12)11-6-4-10(3)5-7-11;1-9(2)11-5-3-10(4-6-11)7-8-12;1-8(2)11-6-5-10(4)9(3)7-11;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-3-8-5-4-6-9(2)7-8;1-7(2)10-8-3-5-9-6-4-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)9-5-3-8-4-6-9;1-7(2)8-5-6-9(3)4;1-6(2)8-5-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-2-7-4-3-5-8-6-7;1-2-5-4-6-3-1/h10H,4-9H2,1-3H3;8-9H,4-7H2,1-3H3,(H,11,13);2*9-10H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,4-7H2,1-3H3;9,12H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;9H,4-8H2,1-3H3;2*8-9H,4-7H2,1-3H3;8H,3-7H2,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6H,3-5H2,1-2H3;2*7H,2-6H2,1H3;5H,1-4H2.
What are the key properties of N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one?
N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 3280.41 g/mol, XLogP of 27.49, 42 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-propan-2-ylethane-1,2-diamine;1,2-dimethyl-4-propan-2-ylpiperazine;N,1-dimethyl-N-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;3-ethyl-1-methylpiperidine;3-ethyloxane;4-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;4-(3-methylbutyl)oxane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;N-methyl-N-(oxan-4-ylmethyl)propan-2-amine;N-methyl-N-propan-2-ylcyclohexanamine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1,3-oxazinane;3-propan-2-yloxyoxane;4-propan-2-yloxyoxane;1-propan-2-ylpiperazine;2-(4-propan-2-ylpiperazin-1-yl)ethanol;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 157371903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).