1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine

C16H35N3 — CID 103778386

IUPAC1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine
SMILESCC(C)CN1CCC(NC(CN(C)C)C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-13(2)11-19-9-7-15(8-10-19)17-16(14(3)4)12-18(5)6/h13-17H,7-12H2,1-6H3
InChIKeyOFISILXNRPCMIE-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.28
Rot. Bonds7

About 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine (PubChem CID 103778386) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine
PubChem CID103778386
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine
SMILESCC(C)CN1CCC(NC(CN(C)C)C(C)C)CC1
InChIInChI=1S/C16H35N3/c1-13(2)11-19-9-7-15(8-10-19)17-16(14(3)4)12-18(5)6/h13-17H,7-12H2,1-6H3
InChIKeyOFISILXNRPCMIE-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,3-trimethyl-2-N-(1-methylpyrrolidin-3-yl)butane-1,2-diamine
CID 62977299
1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine
CID 80560519
2-N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477178
N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 138728386
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
methane;N-methyl-N,1-bis(2-methylpropyl)piperidin-4-amine
CID 162017171
N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
CID 176629357
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 107094063
3-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103783971
(2S)-2-[[1-(2-methylpropyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103783988
2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103786544
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine (CID 103778386) is 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine is CC(C)CN1CCC(NC(CN(C)C)C(C)C)CC1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine?
The InChIKey is OFISILXNRPCMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-13(2)11-19-9-7-15(8-10-19)17-16(14(3)4)12-18(5)6/h13-17H,7-12H2,1-6H3.
What are the key properties of 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-[1-(2-methylpropyl)piperidin-4-yl]butane-1,2-diamine is sourced from PubChem (CID 103778386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).