2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile

C13H22N2O — CID 154734043

IUPAC2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile
SMILESCOC1CC(CN(CC#N)C2CCCC2)C1
InChIInChI=1S/C13H22N2O/c1-16-13-8-11(9-13)10-15(7-6-14)12-4-2-3-5-12/h11-13H,2-5,7-10H2,1H3
InChIKeyIZRHKTPOHIFQSU-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds5

About 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile

2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile (PubChem CID 154734043) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile
PubChem CID154734043
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile
SMILESCOC1CC(CN(CC#N)C2CCCC2)C1
InChIInChI=1S/C13H22N2O/c1-16-13-8-11(9-13)10-15(7-6-14)12-4-2-3-5-12/h11-13H,2-5,7-10H2,1H3
InChIKeyIZRHKTPOHIFQSU-UHFFFAOYSA-N
XLogP2.18
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile 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-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile?
The IUPAC name of 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile (CID 154734043) is 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile.
What is the SMILES notation for 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile?
The canonical SMILES for 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile is COC1CC(CN(CC#N)C2CCCC2)C1.
What is the InChIKey of 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile?
The InChIKey is IZRHKTPOHIFQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-16-13-8-11(9-13)10-15(7-6-14)12-4-2-3-5-12/h11-13H,2-5,7-10H2,1H3.
What are the key properties of 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile?
2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(3-methoxycyclobutyl)methyl]amino]acetonitrile is sourced from PubChem (CID 154734043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).