N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine

C169H361F2N21O13 — CID 158177439

IUPACN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine
SMILESCC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CC(C)CN(C)C.CC(C)CN1CC(N2CCOCC2)C1.CC(C)CN1CC(O)C1.CC(C)CN1C[C@H](C)C[C@H](C)C1.CCC(C)C.CCCC(C)C.CCCNCCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C.COC1CN(C(C)C(C)C)C1
InChIInChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C11H22N2O.C11H23N.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.2C9H19NO.C9H21N.2C8H19N.C7H15NO.C6H15N.C6H14.C5H10F2.C5H12/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-10(2)7-12-8-11(9-12)13-3-5-14-6-4-13;1-9(2)6-12-7-10(3)5-11(4)8-12;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-7(2)8(3)10-5-9(6-10)11-4;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-4-6-9-7-5-8(2)3;1-6(2)3-8-4-7(9)5-8;1-6(2)5-7(3)4;1-4-5-6(2)3;1-4(2)5(3,6)7;1-4-5(2)3/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;10-11H,3-9H2,1-2H3;9-11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7-9H,5-6H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6-7,9H,3-5H2,1-2H3;6H,5H2,1-4H3;6H,4-5H2,1-3H3;4H,1-3H3;5H,4H2,1-3H3/t;;;;10-,11+;;;;;;;;;;;;;;
InChIKeyFYEAHSIMXXLDPN-JAVUZAPXSA-N
MW2933.88 g/mol
LogP30.01
Rot. Bonds60

About N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine

N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine (PubChem CID 158177439) has the molecular formula C169H361F2N21O13 and a molecular weight of 2933.88 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine
PubChem CID158177439
Molecular FormulaC169H361F2N21O13
Molecular Weight2933.88 g/mol
Exact Mass2931.82
IUPAC NameN-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine
SMILESCC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CC(C)CN(C)C.CC(C)CN1CC(N2CCOCC2)C1.CC(C)CN1CC(O)C1.CC(C)CN1C[C@H](C)C[C@H](C)C1.CCC(C)C.CCCC(C)C.CCCNCCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C.COC1CN(C(C)C(C)C)C1
InChIInChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C11H22N2O.C11H23N.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.2C9H19NO.C9H21N.2C8H19N.C7H15NO.C6H15N.C6H14.C5H10F2.C5H12/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-10(2)7-12-8-11(9-12)13-3-5-14-6-4-13;1-9(2)6-12-7-10(3)5-11(4)8-12;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-7(2)8(3)10-5-9(6-10)11-4;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-4-6-9-7-5-8(2)3;1-6(2)3-8-4-7(9)5-8;1-6(2)5-7(3)4;1-4-5-6(2)3;1-4(2)5(3,6)7;1-4-5(2)3/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;10-11H,3-9H2,1-2H3;9-11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7-9H,5-6H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6-7,9H,3-5H2,1-2H3;6H,5H2,1-4H3;6H,4-5H2,1-3H3;4H,1-3H3;5H,4H2,1-3H3/t;;;;10-,11+;;;;;;;;;;;;;;
InChIKeyFYEAHSIMXXLDPN-JAVUZAPXSA-N
XLogP30.01
TPSA273.39 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds60
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.88
LogP ≤ 530.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine with MolForge

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Related Compounds

N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;2-methylbutane;2-(3-methylbutylamino)ethanol;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;propan-2-ylcyclopropane
CID 159382130
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 160175777
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-aminoazetidin-1-yl)-N-propan-2-ylpropanamide;2-(3,3-difluoroazetidin-1-yl)-N-propan-2-ylpropanamide;2-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-propan-2-ylacetamide;2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylacetamide;2-(3-hydroxyazetidin-1-yl)-N-propan-2-ylpropanamide;2-methyl-2-(1-methylpiperidin-4-yl)-N-propan-2-ylpropanamide;N-methyl-2-morpholin-4-yl-N-propan-2-ylacetamide;2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide;2-(1-methylpiperidin-4-yl)-N-propan-2-ylacetamide;2-(1-methylpyrrolidin-3-yl)-N-propan-2-ylacetamide;2-morpholin-4-yl-N-propan-2-ylacetamide
CID 161059298
3,3-difluoro-1-propan-2-ylazetidine;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-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-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
CID 161225856
3,3-difluoro-1-propan-2-ylazetidine;1,4-di(propan-2-yl)piperazine;3-ethylazetidine;3-ethyl-1-methylpiperidine;3-ethyloxane;1-ethyl-4-propan-2-ylpiperazine;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;1-methyl-3-(2-methylpropyl)azetidine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-methyl-N-propan-2-ylpiperidine-4-carboxamide;1-propan-2-ylazetidine;2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 161950124
1-(7-azaspiro[3.5]nonan-7-yl)-2-methylpropan-1-one;1-(azetidin-1-yl)-2-methylpropan-1-one;1-(3,3-dimethylazetidin-1-yl)-2-methylpropan-1-one;2,5-dimethylhexan-3-one;N,2-dimethylpropanamide;1-(3-hydroxyazetidin-1-yl)-2-methylpropan-1-one;1-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one;N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide;1-(4-hydroxypiperidin-1-yl)-2-methylpropan-1-one;3-methylbutan-2-one;2-methylhexan-3-one;5-methylhexan-3-one;2-methyl-1-[4-methyl-4-(trifluoromethyl)piperidin-1-yl]propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-N-(oxetan-3-ylmethyl)propanamide;2-methyl-N-(oxetan-3-yl)propanamide;4-methylpentan-2-one;2,5,5-trimethylhexan-3-one;N,N,2-trimethylpropanamide
CID 163628736
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 167585094
N,N-diethyl-3-methylbutan-1-amine;(2S,6R)-2,6-dimethyl-4-(2-methylpropyl)morpholine;1-ethyl-4-(2-methylpropyl)piperazine;3-methoxy-1-(2-methylpropyl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;2-[4-(2-methylpropyl)piperazin-1-yl]ethanol;N,N,2-trimethylpropan-1-amine
CID 158817879
tert-butylcyclobutane;1-tert-butylcyclobutan-1-ol;1-tert-butyl-1-fluorocyclobutane;1-tert-butyl-1-methoxycyclobutane;3-tert-butyl-1-methylazetidin-3-ol;1-(3,3-dimethylbutyl)piperidine;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethylpentane;2,2-dimethyl-N-(2-piperidin-1-ylethyl)propan-1-amine;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2-(2,2-dimethylpropylamino)butan-1-ol;2-(2,2-dimethylpropylamino)-N,N-dimethylacetamide;4-(2,2-dimethylpropyl)-2-ethylmorpholine;2-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylacetamide;N-(2,2-dimethylpropyl)-3-methylcyclobutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;2,2,3,3-tetramethylbutane
CID 165082994

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine?
The IUPAC name of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine (CID 158177439) is N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine is CC(C)C(C)(F)F.CC(C)C(C)C(=O)N1CCOCC1.CC(C)C(C)CN1CCOCC1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CC(=O)N1CCOCC1.CC(C)CC(=O)NCCCN1CCOCC1.CC(C)CCN1CCNCC1.CC(C)CCN1CCOCC1.CC(C)CCNC(C)C.CC(C)CN(C)C.CC(C)CN1CC(N2CCOCC2)C1.CC(C)CN1CC(O)C1.CC(C)CN1C[C@H](C)C[C@H](C)C1.CCC(C)C.CCCC(C)C.CCCNCCC(C)C.CCN(CC)CCC(C)C.CCN(CC)CCN(CC)C(=O)CC(C)C.COC1CN(C(C)C(C)C)C1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine?
The InChIKey is FYEAHSIMXXLDPN-JAVUZAPXSA-N. The full InChI is InChI=1S/C13H28N2O.C12H24N2O2.C12H24N2O.C11H22N2O.C11H23N.C10H19NO2.C10H21NO.C9H20N2.C9H17NO2.2C9H19NO.C9H21N.2C8H19N.C7H15NO.C6H15N.C6H14.C5H10F2.C5H12/c1-6-14(7-2)9-10-15(8-3)13(16)11-12(4)5;1-11(2)10-12(15)13-4-3-5-14-6-8-16-9-7-14;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-10(2)7-12-8-11(9-12)13-3-5-14-6-4-13;1-9(2)6-12-7-10(3)5-11(4)8-12;1-8(2)9(3)10(12)11-4-6-13-7-5-11;1-9(2)10(3)8-11-4-6-12-7-5-11;1-9(2)3-6-11-7-4-10-5-8-11;1-8(2)7-9(11)10-3-5-12-6-4-10;1-7(2)8(3)10-5-9(6-10)11-4;1-9(2)3-4-10-5-7-11-8-6-10;1-5-10(6-2)8-7-9(3)4;1-7(2)5-6-9-8(3)4;1-4-6-9-7-5-8(2)3;1-6(2)3-8-4-7(9)5-8;1-6(2)5-7(3)4;1-4-5-6(2)3;1-4(2)5(3,6)7;1-4-5(2)3/h12H,6-11H2,1-5H3;11H,3-10H2,1-2H3,(H,13,15);10-11H,5-9H2,1-4H3;10-11H,3-9H2,1-2H3;9-11H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3;9-10H,4-8H2,1-3H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;7-9H,5-6H2,1-4H3;9H,3-8H2,1-2H3;9H,5-8H2,1-4H3;7-9H,5-6H2,1-4H3;8-9H,4-7H2,1-3H3;6-7,9H,3-5H2,1-2H3;6H,5H2,1-4H3;6H,4-5H2,1-3H3;4H,1-3H3;5H,4H2,1-3H3/t;;;;10-,11+;;;;;;;;;;;;;;.
What are the key properties of N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine?
N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine has a molecular weight of 2933.88 g/mol, XLogP of 30.01, 60 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-N-ethyl-3-methylbutanamide;N,N-diethyl-3-methylbutan-1-amine;2,2-difluoro-3-methylbutane;4-(2,3-dimethylbutyl)morpholine;(3S,5R)-3,5-dimethyl-1-(2-methylpropyl)piperidine;2,3-dimethyl-1-morpholin-4-ylbutan-1-one;3-methoxy-1-(3-methylbutan-2-yl)azetidine;2-methylbutane;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperazine;3-methyl-1-morpholin-4-ylbutan-1-one;3-methyl-N-(3-morpholin-4-ylpropyl)butanamide;2-methylpentane;3-methyl-N-propan-2-ylbutan-1-amine;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(2-methylpropyl)azetidin-3-ol;4-[1-(2-methylpropyl)azetidin-3-yl]morpholine;3-methyl-N-propylbutan-1-amine;N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 158177439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).