1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine

C17H34N2 — CID 63631397

IUPAC1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)CC2CCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-6-15-9-11-17(14-18,12-10-15)19(2)13-16-7-4-5-8-16/h15-16H,3-14,18H2,1-2H3
InChIKeyXAIIPDCCKSIBQW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.80
Rot. Bonds6

About 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine

1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 63631397) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
PubChem CID63631397
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)CC2CCCC2)CC1
InChIInChI=1S/C17H34N2/c1-3-6-15-9-11-17(14-18,12-10-15)19(2)13-16-7-4-5-8-16/h15-16H,3-14,18H2,1-2H3
InChIKeyXAIIPDCCKSIBQW-UHFFFAOYSA-N
XLogP3.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine (CID 63631397) is 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(CN)(N(C)CC2CCCC2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is XAIIPDCCKSIBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-6-15-9-11-17(14-18,12-10-15)19(2)13-16-7-4-5-8-16/h15-16H,3-14,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine?
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.80, 6 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-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63631397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).