1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine

C16H32N2 — CID 64763172

IUPAC1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CC2CCCC2)C1C
InChIInChI=1S/C16H32N2/c1-13-7-6-10-16(12-17,14(13)2)18(3)11-15-8-4-5-9-15/h13-15H,4-12,17H2,1-3H3
InChIKeyCCHOWKAGJCSXFN-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds4

About 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine (PubChem CID 64763172) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
PubChem CID64763172
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)CC2CCCC2)C1C
InChIInChI=1S/C16H32N2/c1-13-7-6-10-16(12-17,14(13)2)18(3)11-15-8-4-5-9-15/h13-15H,4-12,17H2,1-3H3
InChIKeyCCHOWKAGJCSXFN-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 64756767
1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64762965
1-(aminomethyl)-N,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 63725587
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
CID 64762340
1-(aminomethyl)-2,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylcyclohexan-1-amine
CID 79483197
1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 64762742
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 65045427
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63633209
3-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxolan-3-amine
CID 63630516
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylcyclohexan-1-amine
CID 63955339
1-(aminomethyl)-N,2-dimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 65045881

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine (CID 64763172) is 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine is CC1CCCC(CN)(N(C)CC2CCCC2)C1C.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine?
The InChIKey is CCHOWKAGJCSXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-7-6-10-16(12-17,14(13)2)18(3)11-15-8-4-5-9-15/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64763172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).