2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile

C11H18N2O — CID 61002248

IUPAC2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile
SMILESN#CC(NC1CCCC1)C1CCOC1
InChIInChI=1S/C11H18N2O/c12-7-11(9-5-6-14-8-9)13-10-3-1-2-4-10/h9-11,13H,1-6,8H2
InChIKeyQMKDWTVEOFHECO-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.45
Rot. Bonds3

About 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile

2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile (PubChem CID 61002248) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile
PubChem CID61002248
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile
SMILESN#CC(NC1CCCC1)C1CCOC1
InChIInChI=1S/C11H18N2O/c12-7-11(9-5-6-14-8-9)13-10-3-1-2-4-10/h9-11,13H,1-6,8H2
InChIKeyQMKDWTVEOFHECO-UHFFFAOYSA-N
XLogP1.45
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile 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

2-(cycloheptylamino)-2-(oxolan-3-yl)ethanol
CID 61055158
2-(cyclopentylamino)-2-(thiolan-3-yl)acetonitrile
CID 107132960
2-(ethylamino)-2-(oxan-3-yl)acetonitrile
CID 63741653
2-(cycloheptylamino)-2-(oxolan-3-yl)acetic acid
CID 54892838
N-cycloheptyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 65379536
2-cyclohex-3-en-1-yl-2-(cyclohexylamino)acetonitrile
CID 60998877
2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile
CID 104575521
2-(4-methoxyanilino)-2-(oxolan-3-yl)acetonitrile
CID 54886831
(3R)-N-[(R)-cyano-[(3S)-oxolan-3-yl]methyl]-1-cyclohexylpyrrolidine-3-carboxamide
CID 97221344
1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950
2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
CID 62391437
ethyl 2-(cyclohexylamino)-2-(oxolan-3-yl)acetate
CID 54892505

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile?
The IUPAC name of 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile (CID 61002248) is 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile?
The canonical SMILES for 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile is N#CC(NC1CCCC1)C1CCOC1.
What is the InChIKey of 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile?
The InChIKey is QMKDWTVEOFHECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-11(9-5-6-14-8-9)13-10-3-1-2-4-10/h9-11,13H,1-6,8H2.
What are the key properties of 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile?
2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-(oxolan-3-yl)acetonitrile is sourced from PubChem (CID 61002248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).