3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine

C14H25N — CID 165498619

IUPAC3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)C(CC2=CCCC2)C1
InChIInChI=1S/C14H25N/c1-11-7-8-14(15-2)10-13(11)9-12-5-3-4-6-12/h5,11,13-15H,3-4,6-10H2,1-2H3
InChIKeyNLHRFBLWUIYXDH-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.51
Rot. Bonds3

About 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine

3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine (PubChem CID 165498619) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine
PubChem CID165498619
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine
SMILESCNC1CCC(C)C(CC2=CCCC2)C1
InChIInChI=1S/C14H25N/c1-11-7-8-14(15-2)10-13(11)9-12-5-3-4-6-12/h5,11,13-15H,3-4,6-10H2,1-2H3
InChIKeyNLHRFBLWUIYXDH-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine (CID 165498619) is 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine is CNC1CCC(C)C(CC2=CCCC2)C1.
What is the InChIKey of 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
The InChIKey is NLHRFBLWUIYXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-11-7-8-14(15-2)10-13(11)9-12-5-3-4-6-12/h5,11,13-15H,3-4,6-10H2,1-2H3.
What are the key properties of 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine?
3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-ylmethyl)-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 165498619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).