benzonitrile;cyclopentanamine

C12H16N2 — CID 162015022

IUPACbenzonitrile;cyclopentanamine
SMILESN#Cc1ccccc1.NC1CCCC1
InChIInChI=1S/C7H5N.C5H11N/c8-6-7-4-2-1-3-5-7;6-5-3-1-2-4-5/h1-5H;5H,1-4,6H2
InChIKeyYTZKVAPPIOWSAD-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.45
Rot. Bonds

About benzonitrile;cyclopentanamine

benzonitrile;cyclopentanamine (PubChem CID 162015022) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is benzonitrile;cyclopentanamine.

Molecular Properties

Compound Namebenzonitrile;cyclopentanamine
PubChem CID162015022
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Namebenzonitrile;cyclopentanamine
SMILESN#Cc1ccccc1.NC1CCCC1
InChIInChI=1S/C7H5N.C5H11N/c8-6-7-4-2-1-3-5-7;6-5-3-1-2-4-5/h1-5H;5H,1-4,6H2
InChIKeyYTZKVAPPIOWSAD-UHFFFAOYSA-N
XLogP2.45
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzonitrile;cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzonitrile;cyclopentanamine?
The IUPAC name of benzonitrile;cyclopentanamine (CID 162015022) is benzonitrile;cyclopentanamine.
What is the SMILES notation for benzonitrile;cyclopentanamine?
The canonical SMILES for benzonitrile;cyclopentanamine is N#Cc1ccccc1.NC1CCCC1.
What is the InChIKey of benzonitrile;cyclopentanamine?
The InChIKey is YTZKVAPPIOWSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.C5H11N/c8-6-7-4-2-1-3-5-7;6-5-3-1-2-4-5/h1-5H;5H,1-4,6H2.
What are the key properties of benzonitrile;cyclopentanamine?
benzonitrile;cyclopentanamine has a molecular weight of 188.27 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzonitrile;cyclopentanamine is sourced from PubChem (CID 162015022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).