N-(2-ethylphenyl)azepan-3-amine

C14H22N2 — CID 102076155

IUPACN-(2-ethylphenyl)azepan-3-amine
SMILESCCc1ccccc1NC1CCCCNC1
InChIInChI=1S/C14H22N2/c1-2-12-7-3-4-9-14(12)16-13-8-5-6-10-15-11-13/h3-4,7,9,13,15-16H,2,5-6,8,10-11H2,1H3
InChIKeyCQLDVQRYEPRDLM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.80
Rot. Bonds3

About N-(2-ethylphenyl)azepan-3-amine

N-(2-ethylphenyl)azepan-3-amine (PubChem CID 102076155) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)azepan-3-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)azepan-3-amine
PubChem CID102076155
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(2-ethylphenyl)azepan-3-amine
SMILESCCc1ccccc1NC1CCCCNC1
InChIInChI=1S/C14H22N2/c1-2-12-7-3-4-9-14(12)16-13-8-5-6-10-15-11-13/h3-4,7,9,13,15-16H,2,5-6,8,10-11H2,1H3
InChIKeyCQLDVQRYEPRDLM-UHFFFAOYSA-N
XLogP2.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)azepan-3-amine?
The IUPAC name of N-(2-ethylphenyl)azepan-3-amine (CID 102076155) is N-(2-ethylphenyl)azepan-3-amine.
What is the SMILES notation for N-(2-ethylphenyl)azepan-3-amine?
The canonical SMILES for N-(2-ethylphenyl)azepan-3-amine is CCc1ccccc1NC1CCCCNC1.
What is the InChIKey of N-(2-ethylphenyl)azepan-3-amine?
The InChIKey is CQLDVQRYEPRDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-12-7-3-4-9-14(12)16-13-8-5-6-10-15-11-13/h3-4,7,9,13,15-16H,2,5-6,8,10-11H2,1H3.
What are the key properties of N-(2-ethylphenyl)azepan-3-amine?
N-(2-ethylphenyl)azepan-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)azepan-3-amine is sourced from PubChem (CID 102076155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).