3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine

C16H25N — CID 64513874

IUPAC3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine
SMILESCCC1CCC(N)(CCCc2ccccc2)C1
InChIInChI=1S/C16H25N/c1-2-14-10-12-16(17,13-14)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13,17H2,1H3
InChIKeyPOQXWKTWKZGYCM-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.92
Rot. Bonds5

About 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine

3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine (PubChem CID 64513874) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine
PubChem CID64513874
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine
SMILESCCC1CCC(N)(CCCc2ccccc2)C1
InChIInChI=1S/C16H25N/c1-2-14-10-12-16(17,13-14)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13,17H2,1H3
InChIKeyPOQXWKTWKZGYCM-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine?
The IUPAC name of 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine (CID 64513874) is 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine is CCC1CCC(N)(CCCc2ccccc2)C1.
What is the InChIKey of 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine?
The InChIKey is POQXWKTWKZGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-2-14-10-12-16(17,13-14)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13,17H2,1H3.
What are the key properties of 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine?
3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-phenylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 64513874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).