4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile

C11H12ClN3 — CID 63092112

IUPAC4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile
SMILESN#Cc1ccc(NC2CC(N)C2)c(Cl)c1
InChIInChI=1S/C11H12ClN3/c12-10-3-7(6-13)1-2-11(10)15-9-4-8(14)5-9/h1-3,8-9,15H,4-5,14H2
InChIKeyVWUGGYQEOSJRJG-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.11
Rot. Bonds2

About 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile

4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile (PubChem CID 63092112) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile
PubChem CID63092112
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile
SMILESN#Cc1ccc(NC2CC(N)C2)c(Cl)c1
InChIInChI=1S/C11H12ClN3/c12-10-3-7(6-13)1-2-11(10)15-9-4-8(14)5-9/h1-3,8-9,15H,4-5,14H2
InChIKeyVWUGGYQEOSJRJG-UHFFFAOYSA-N
XLogP2.11
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[(4-aminocyclohexyl)amino]-3-chlorobenzonitrile
CID 63092581
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-chlorobenzonitrile
CID 63092937
3-[(3-aminocyclobutyl)amino]-4-methylbenzonitrile
CID 80562351
4-[(3-aminocyclobutyl)amino]-3-(trifluoromethyl)benzonitrile
CID 80559778
3-chloro-4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]benzonitrile
CID 65472772
3-chloro-4-[(4-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107807559
3-chloro-4-[(4-methoxycyclohexyl)amino]benzonitrile
CID 107807193
3-chloro-4-[(1,5-dimethylpyrrolidin-3-yl)amino]benzonitrile
CID 114003381
3-chloro-4-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]benzonitrile
CID 107807654
3-chloro-4-[(4-methylcycloheptyl)amino]benzonitrile
CID 107807300
3-chloro-4-[(3-methoxycyclohexyl)amino]benzonitrile
CID 107807263
3-chloro-4-[(2-phenylcyclopropyl)amino]benzonitrile
CID 63093101

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile?
The IUPAC name of 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile (CID 63092112) is 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile.
What is the SMILES notation for 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile?
The canonical SMILES for 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile is N#Cc1ccc(NC2CC(N)C2)c(Cl)c1.
What is the InChIKey of 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile?
The InChIKey is VWUGGYQEOSJRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-10-3-7(6-13)1-2-11(10)15-9-4-8(14)5-9/h1-3,8-9,15H,4-5,14H2.
What are the key properties of 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile?
4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile has a molecular weight of 221.69 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclobutyl)amino]-3-chlorobenzonitrile is sourced from PubChem (CID 63092112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).