1-(azepan-1-ylmethyl)cyclohexan-1-amine

C13H26N2 — CID 28597451

IUPAC1-(azepan-1-ylmethyl)cyclohexan-1-amine
SMILESNC1(CN2CCCCCC2)CCCCC1
InChIInChI=1S/C13H26N2/c14-13(8-4-3-5-9-13)12-15-10-6-1-2-7-11-15/h1-12,14H2
InChIKeyNEUFJZQCNBXOCC-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.52
Rot. Bonds2

About 1-(azepan-1-ylmethyl)cyclohexan-1-amine

1-(azepan-1-ylmethyl)cyclohexan-1-amine (PubChem CID 28597451) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(azepan-1-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(azepan-1-ylmethyl)cyclohexan-1-amine
PubChem CID28597451
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(azepan-1-ylmethyl)cyclohexan-1-amine
SMILESNC1(CN2CCCCCC2)CCCCC1
InChIInChI=1S/C13H26N2/c14-13(8-4-3-5-9-13)12-15-10-6-1-2-7-11-15/h1-12,14H2
InChIKeyNEUFJZQCNBXOCC-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(azepan-1-ylmethyl)cyclohexan-1-amine (CID 28597451) is 1-(azepan-1-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(azepan-1-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(azepan-1-ylmethyl)cyclohexan-1-amine is NC1(CN2CCCCCC2)CCCCC1.
What is the InChIKey of 1-(azepan-1-ylmethyl)cyclohexan-1-amine?
The InChIKey is NEUFJZQCNBXOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c14-13(8-4-3-5-9-13)12-15-10-6-1-2-7-11-15/h1-12,14H2.
What are the key properties of 1-(azepan-1-ylmethyl)cyclohexan-1-amine?
1-(azepan-1-ylmethyl)cyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 28597451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).