3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile

C19H22N2O — CID 146204287

IUPAC3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile
SMILESCC(=O)C1(C23CC(NCc4cccc(C#N)c4)(C2)C3)CCC1
InChIInChI=1S/C19H22N2O/c1-14(22)19(6-3-7-19)17-11-18(12-17,13-17)21-10-16-5-2-4-15(8-16)9-20/h2,4-5,8,21H,3,6-7,10-13H2,1H3
InChIKeyGCUGUXWLCBJNLM-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.33
Rot. Bonds5

About 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile

3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile (PubChem CID 146204287) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile
PubChem CID146204287
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile
SMILESCC(=O)C1(C23CC(NCc4cccc(C#N)c4)(C2)C3)CCC1
InChIInChI=1S/C19H22N2O/c1-14(22)19(6-3-7-19)17-11-18(12-17,13-17)21-10-16-5-2-4-15(8-16)9-20/h2,4-5,8,21H,3,6-7,10-13H2,1H3
InChIKeyGCUGUXWLCBJNLM-UHFFFAOYSA-N
XLogP3.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile 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

1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114994248
3-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]benzonitrile
CID 62526546
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
N-[(3-cyanophenyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 103520088
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
1-[(3-cyanophenyl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936552
1-[(3-cyanophenyl)methyl]-3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)urea
CID 169150541
2-[(3-cyanophenyl)methylamino]-N-methylacetamide
CID 43214956
N-[(3-cyanophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111520470
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[(3-cyanophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974506

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile?
The IUPAC name of 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile (CID 146204287) is 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile is CC(=O)C1(C23CC(NCc4cccc(C#N)c4)(C2)C3)CCC1.
What is the InChIKey of 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile?
The InChIKey is GCUGUXWLCBJNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(22)19(6-3-7-19)17-11-18(12-17,13-17)21-10-16-5-2-4-15(8-16)9-20/h2,4-5,8,21H,3,6-7,10-13H2,1H3.
What are the key properties of 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile?
3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile has a molecular weight of 294.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(1-acetylcyclobutyl)-1-bicyclo[1.1.1]pentanyl]amino]methyl]benzonitrile is sourced from PubChem (CID 146204287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).