2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine

C16H32N2 — CID 113441643

IUPAC2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCCC1CCCCCN1C1C(C)CC(C)CC1N
InChIInChI=1S/C16H32N2/c1-4-14-8-6-5-7-9-18(14)16-13(3)10-12(2)11-15(16)17/h12-16H,4-11,17H2,1-3H3
InChIKeyUDRPUVPJPYXWRK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.40
Rot. Bonds2

About 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine

2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine (PubChem CID 113441643) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine
PubChem CID113441643
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine
SMILESCCC1CCCCCN1C1C(C)CC(C)CC1N
InChIInChI=1S/C16H32N2/c1-4-14-8-6-5-7-9-18(14)16-13(3)10-12(2)11-15(16)17/h12-16H,4-11,17H2,1-3H3
InChIKeyUDRPUVPJPYXWRK-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine (CID 113441643) is 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine is CCC1CCCCCN1C1C(C)CC(C)CC1N.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine?
The InChIKey is UDRPUVPJPYXWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-14-8-6-5-7-9-18(14)16-13(3)10-12(2)11-15(16)17/h12-16H,4-11,17H2,1-3H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine?
2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 113441643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).