1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride

C6H11ClN2 — CID 90645633

IUPAC1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1(CN)CCC1
InChIInChI=1S/C6H10N2.ClH/c7-4-6(5-8)2-1-3-6;/h1-4,7H2;1H
InChIKeyPLWWWADVVRPOFO-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.06
Rot. Bonds1

About 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride

1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride (PubChem CID 90645633) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride
PubChem CID90645633
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1(CN)CCC1
InChIInChI=1S/C6H10N2.ClH/c7-4-6(5-8)2-1-3-6;/h1-4,7H2;1H
InChIKeyPLWWWADVVRPOFO-UHFFFAOYSA-N
XLogP1.06
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride 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 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride?
The IUPAC name of 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride (CID 90645633) is 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride?
The canonical SMILES for 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride is Cl.N#CC1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride?
The InChIKey is PLWWWADVVRPOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c7-4-6(5-8)2-1-3-6;/h1-4,7H2;1H.
What are the key properties of 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride?
1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride has a molecular weight of 146.62 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclobutane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 90645633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).