cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine

C14H28N2 — CID 59007472

IUPACcis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN[C@@H]1CCCC[C@H]1CN1CCCCCC1
InChIInChI=1S/C14H28N2/c1-15-14-9-5-4-8-13(14)12-16-10-6-2-3-7-11-16/h13-15H,2-12H2,1H3/t13-,14+/m0/s1
InChIKeyDHHNPXRRYCPMOO-UONOGXRCSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds3

About cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine

cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 59007472) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine
PubChem CID59007472
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Namecis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine
SMILESCN[C@@H]1CCCC[C@H]1CN1CCCCCC1
InChIInChI=1S/C14H28N2/c1-15-14-9-5-4-8-13(14)12-16-10-6-2-3-7-11-16/h13-15H,2-12H2,1H3/t13-,14+/m0/s1
InChIKeyDHHNPXRRYCPMOO-UONOGXRCSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine (CID 59007472) is cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine is CN[C@@H]1CCCC[C@H]1CN1CCCCCC1.
What is the InChIKey of cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is DHHNPXRRYCPMOO-UONOGXRCSA-N. The full InChI is InChI=1S/C14H28N2/c1-15-14-9-5-4-8-13(14)12-16-10-6-2-3-7-11-16/h13-15H,2-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine?
cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(azepan-1-ylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 59007472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).