2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine

C16H32N2 — CID 113441645

IUPAC2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine
SMILESCCC1CCCCCN1CCC1CCCC1NC
InChIInChI=1S/C16H32N2/c1-3-15-9-5-4-6-12-18(15)13-11-14-8-7-10-16(14)17-2/h14-17H,3-13H2,1-2H3
InChIKeyLFVHKTZJLRXMGG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine

2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine (PubChem CID 113441645) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine
PubChem CID113441645
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine
SMILESCCC1CCCCCN1CCC1CCCC1NC
InChIInChI=1S/C16H32N2/c1-3-15-9-5-4-6-12-18(15)13-11-14-8-7-10-16(14)17-2/h14-17H,3-13H2,1-2H3
InChIKeyLFVHKTZJLRXMGG-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine (CID 113441645) is 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine is CCC1CCCCCN1CCC1CCCC1NC.
What is the InChIKey of 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine?
The InChIKey is LFVHKTZJLRXMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-15-9-5-4-6-12-18(15)13-11-14-8-7-10-16(14)17-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine?
2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 113441645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).