2-amino-1-methylcyclobutane-1-carbonitrile

C6H10N2 — CID 67732140

IUPAC2-amino-1-methylcyclobutane-1-carbonitrile
SMILESCC1(C#N)CCC1N
InChIInChI=1S/C6H10N2/c1-6(4-7)3-2-5(6)8/h5H,2-3,8H2,1H3
InChIKeyQQOMFOZETOCVBH-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.64
Rot. Bonds

About 2-amino-1-methylcyclobutane-1-carbonitrile

2-amino-1-methylcyclobutane-1-carbonitrile (PubChem CID 67732140) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-amino-1-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-amino-1-methylcyclobutane-1-carbonitrile
PubChem CID67732140
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-amino-1-methylcyclobutane-1-carbonitrile
SMILESCC1(C#N)CCC1N
InChIInChI=1S/C6H10N2/c1-6(4-7)3-2-5(6)8/h5H,2-3,8H2,1H3
InChIKeyQQOMFOZETOCVBH-UHFFFAOYSA-N
XLogP0.64
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-methylcyclobutane-1-carbonitrile 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 2-amino-1-methylcyclobutane-1-carbonitrile?
The IUPAC name of 2-amino-1-methylcyclobutane-1-carbonitrile (CID 67732140) is 2-amino-1-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 2-amino-1-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 2-amino-1-methylcyclobutane-1-carbonitrile is CC1(C#N)CCC1N.
What is the InChIKey of 2-amino-1-methylcyclobutane-1-carbonitrile?
The InChIKey is QQOMFOZETOCVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(4-7)3-2-5(6)8/h5H,2-3,8H2,1H3.
What are the key properties of 2-amino-1-methylcyclobutane-1-carbonitrile?
2-amino-1-methylcyclobutane-1-carbonitrile has a molecular weight of 110.16 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 67732140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).