3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride

C15H21ClN2 — CID 2852202

IUPAC3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride
SMILESCl.N#CCCNCC1(c2ccccc2)CCCC1
InChIInChI=1S/C15H20N2.ClH/c16-11-6-12-17-13-15(9-4-5-10-15)14-7-2-1-3-8-14;/h1-3,7-8,17H,4-6,9-10,12-13H2;1H
InChIKeyLGKDJUSUVCLRNU-UHFFFAOYSA-N
MW264.80 g/mol
LogP3.42
Rot. Bonds5

About 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride

3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride (PubChem CID 2852202) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride
PubChem CID2852202
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride
SMILESCl.N#CCCNCC1(c2ccccc2)CCCC1
InChIInChI=1S/C15H20N2.ClH/c16-11-6-12-17-13-15(9-4-5-10-15)14-7-2-1-3-8-14;/h1-3,7-8,17H,4-6,9-10,12-13H2;1H
InChIKeyLGKDJUSUVCLRNU-UHFFFAOYSA-N
XLogP3.42
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride?
The IUPAC name of 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride (CID 2852202) is 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride.
What is the SMILES notation for 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride?
The canonical SMILES for 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride is Cl.N#CCCNCC1(c2ccccc2)CCCC1.
What is the InChIKey of 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride?
The InChIKey is LGKDJUSUVCLRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.ClH/c16-11-6-12-17-13-15(9-4-5-10-15)14-7-2-1-3-8-14;/h1-3,7-8,17H,4-6,9-10,12-13H2;1H.
What are the key properties of 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride?
3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride has a molecular weight of 264.80 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 3-[(1-phenylcyclopentyl)methylamino]propanenitrile;hydrochloride is sourced from PubChem (CID 2852202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).