N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine

C90H194N18O2 — CID 158575852

IUPACN',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine
SMILESCC(=O)N1CCC(N(C)C(C)C)CC1.CC(C)N(C)C1CCCN(C)C1.CC(C)N(C)C1CCN(C2CN(C)C2)CC1.CC(C)N(C)C1CCN(CCCN(C)C)CC1.CC(C)N(C)C1CCOCC1.CC(C)N(C)CCCN1CCN(C)CC1.CC(C)N1CC(N2CCCC2)C1.CCN(CC)CCCN(C)C(C)C
InChIInChI=1S/C14H31N3.C13H27N3.C12H27N3.C11H22N2O.C11H26N2.C10H20N2.C10H22N2.C9H19NO/c1-13(2)16(5)14-7-11-17(12-8-14)10-6-9-15(3)4;1-11(2)15(4)12-5-7-16(8-6-12)13-9-14(3)10-13;1-12(2)14(4)6-5-7-15-10-8-13(3)9-11-15;1-9(2)12(4)11-5-7-13(8-6-11)10(3)14;1-6-13(7-2)10-8-9-12(5)11(3)4;1-9(2)12-7-10(8-12)11-5-3-4-6-11;1-9(2)12(4)10-6-5-7-11(3)8-10;1-8(2)10(3)9-4-6-11-7-5-9/h13-14H,6-12H2,1-5H3;11-13H,5-10H2,1-4H3;12H,5-11H2,1-4H3;9,11H,5-8H2,1-4H3;11H,6-10H2,1-5H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3
InChIKeyHSQMTQGFWAHPPY-UHFFFAOYSA-N
MW1560.67 g/mol
LogP11.31
Rot. Bonds29

About N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine

N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine (PubChem CID 158575852) has the molecular formula C90H194N18O2 and a molecular weight of 1560.67 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine
PubChem CID158575852
Molecular FormulaC90H194N18O2
Molecular Weight1560.67 g/mol
Exact Mass1559.56
IUPAC NameN',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine
SMILESCC(=O)N1CCC(N(C)C(C)C)CC1.CC(C)N(C)C1CCCN(C)C1.CC(C)N(C)C1CCN(C2CN(C)C2)CC1.CC(C)N(C)C1CCN(CCCN(C)C)CC1.CC(C)N(C)C1CCOCC1.CC(C)N(C)CCCN1CCN(C)CC1.CC(C)N1CC(N2CCCC2)C1.CCN(CC)CCCN(C)C(C)C
InChIInChI=1S/C14H31N3.C13H27N3.C12H27N3.C11H22N2O.C11H26N2.C10H20N2.C10H22N2.C9H19NO/c1-13(2)16(5)14-7-11-17(12-8-14)10-6-9-15(3)4;1-11(2)15(4)12-5-7-16(8-6-12)13-9-14(3)10-13;1-12(2)14(4)6-5-7-15-10-8-13(3)9-11-15;1-9(2)12(4)11-5-7-13(8-6-11)10(3)14;1-6-13(7-2)10-8-9-12(5)11(3)4;1-9(2)12-7-10(8-12)11-5-3-4-6-11;1-9(2)12(4)10-6-5-7-11(3)8-10;1-8(2)10(3)9-4-6-11-7-5-9/h13-14H,6-12H2,1-5H3;11-13H,5-10H2,1-4H3;12H,5-11H2,1-4H3;9,11H,5-8H2,1-4H3;11H,6-10H2,1-5H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3
InChIKeyHSQMTQGFWAHPPY-UHFFFAOYSA-N
XLogP11.31
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001560.67
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 157518640
N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine
CID 158082121
Ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;3-propan-2-yloxetane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 159993938
Ethane;1-methyl-3-propan-2-ylazetidine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperidine);bis(1-(3-propan-2-ylazetidin-1-yl)ethanone);4-propan-2-yloxane;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 161402239
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane
CID 167590484
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine
CID 167636064
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;(3R)-1-tert-butyl-3-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine
CID 167643253
4-tert-butyl-1-[(1-tert-butylazetidin-3-yl)methyl]piperidine;4-tert-butyl-1-(1-tert-butylazetidin-3-yl)piperidine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine;1-(3-tert-butyl-3,9-diazaspiro[5.5]undecan-9-yl)-3-(4,4-dimethylpentoxy)propan-1-one;3-tert-butyl-9-(5,5-dimethylhexyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane;1,4-ditert-butyl-4-methylpiperidine
CID 167710776

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine?
The IUPAC name of N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine (CID 158575852) is N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine?
The canonical SMILES for N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine is CC(=O)N1CCC(N(C)C(C)C)CC1.CC(C)N(C)C1CCCN(C)C1.CC(C)N(C)C1CCN(C2CN(C)C2)CC1.CC(C)N(C)C1CCN(CCCN(C)C)CC1.CC(C)N(C)C1CCOCC1.CC(C)N(C)CCCN1CCN(C)CC1.CC(C)N1CC(N2CCCC2)C1.CCN(CC)CCCN(C)C(C)C.
What is the InChIKey of N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine?
The InChIKey is HSQMTQGFWAHPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3.C13H27N3.C12H27N3.C11H22N2O.C11H26N2.C10H20N2.C10H22N2.C9H19NO/c1-13(2)16(5)14-7-11-17(12-8-14)10-6-9-15(3)4;1-11(2)15(4)12-5-7-16(8-6-12)13-9-14(3)10-13;1-12(2)14(4)6-5-7-15-10-8-13(3)9-11-15;1-9(2)12(4)11-5-7-13(8-6-11)10(3)14;1-6-13(7-2)10-8-9-12(5)11(3)4;1-9(2)12-7-10(8-12)11-5-3-4-6-11;1-9(2)12(4)10-6-5-7-11(3)8-10;1-8(2)10(3)9-4-6-11-7-5-9/h13-14H,6-12H2,1-5H3;11-13H,5-10H2,1-4H3;12H,5-11H2,1-4H3;9,11H,5-8H2,1-4H3;11H,6-10H2,1-5H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;8-9H,4-7H2,1-3H3.
What are the key properties of N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine?
N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine has a molecular weight of 1560.67 g/mol, XLogP of 11.31, 29 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-propan-2-ylpropane-1,3-diamine;1-[3-(dimethylamino)propyl]-N-methyl-N-propan-2-ylpiperidin-4-amine;N,1-dimethyl-N-propan-2-ylpiperidin-3-amine;N-methyl-1-(1-methylazetidin-3-yl)-N-propan-2-ylpiperidin-4-amine;N-methyl-3-(4-methylpiperazin-1-yl)-N-propan-2-ylpropan-1-amine;1-[4-[methyl(propan-2-yl)amino]piperidin-1-yl]ethanone;N-methyl-N-propan-2-yloxan-4-amine;1-(1-propan-2-ylazetidin-3-yl)pyrrolidine is sourced from PubChem (CID 158575852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).