3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile

C15H26N2O — CID 96509650

IUPAC3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile
SMILESN#CCCN(CCC1CCCC1)C[C@H]1CCOC1
InChIInChI=1S/C15H26N2O/c16-8-3-9-17(12-15-7-11-18-13-15)10-6-14-4-1-2-5-14/h14-15H,1-7,9-13H2/t15-/m1/s1
InChIKeyNUXNFCYCIXEEJM-OAHLLOKOSA-N
MW250.39 g/mol
LogP2.82
Rot. Bonds7

About 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile

3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile (PubChem CID 96509650) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile
PubChem CID96509650
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile
SMILESN#CCCN(CCC1CCCC1)C[C@H]1CCOC1
InChIInChI=1S/C15H26N2O/c16-8-3-9-17(12-15-7-11-18-13-15)10-6-14-4-1-2-5-14/h14-15H,1-7,9-13H2/t15-/m1/s1
InChIKeyNUXNFCYCIXEEJM-OAHLLOKOSA-N
XLogP2.82
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile 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

3-[2-methoxyethyl(oxan-4-ylmethyl)amino]propanenitrile
CID 63286499
3-[(2,5-dichlorophenyl)methyl-(oxolan-3-ylmethyl)amino]propanenitrile
CID 75373487
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
3-[(4-chloro-2-fluorophenyl)methyl-[[(3S)-oxolan-3-yl]methyl]amino]propanenitrile
CID 100637311
3-[(2-chloro-5-fluorophenyl)methyl-[[(3S)-oxolan-3-yl]methyl]amino]propanenitrile
CID 100642111
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl-(oxolan-3-ylmethyl)amino]propanenitrile
CID 56785510
3-[(3-methoxyphenyl)methyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile
CID 95633268
3-[(3-methoxyphenyl)methyl-(oxolan-3-ylmethyl)amino]propanenitrile
CID 56794343
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl-[[(3S)-oxolan-3-yl]methyl]amino]propanenitrile
CID 97219412
3-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-[[(3S)-oxolan-3-yl]methyl]amino]propanenitrile
CID 95598071
3-[2-cyclobutylethyl(methyl)amino]propanenitrile
CID 115231300
2,2-dimethyl-N'-(oxolan-3-ylmethyl)-N'-propylpropane-1,3-diamine
CID 79667897

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile?
The IUPAC name of 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile (CID 96509650) is 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile.
What is the SMILES notation for 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile?
The canonical SMILES for 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile is N#CCCN(CCC1CCCC1)C[C@H]1CCOC1.
What is the InChIKey of 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile?
The InChIKey is NUXNFCYCIXEEJM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26N2O/c16-8-3-9-17(12-15-7-11-18-13-15)10-6-14-4-1-2-5-14/h14-15H,1-7,9-13H2/t15-/m1/s1.
What are the key properties of 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile?
3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile has a molecular weight of 250.39 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentylethyl-[[(3R)-oxolan-3-yl]methyl]amino]propanenitrile is sourced from PubChem (CID 96509650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).