3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile

C15H20N2O — CID 114105210

IUPAC3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
SMILESCCC1OCCC1CNCc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O/c1-2-15-14(6-7-18-15)11-17-10-13-5-3-4-12(8-13)9-16/h3-5,8,14-15,17H,2,6-7,10-11H2,1H3
InChIKeyWQIHBXHJRVFCFT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.46
Rot. Bonds5

About 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile

3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile (PubChem CID 114105210) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
PubChem CID114105210
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
SMILESCCC1OCCC1CNCc1cccc(C#N)c1
InChIInChI=1S/C15H20N2O/c1-2-15-14(6-7-18-15)11-17-10-13-5-3-4-12(8-13)9-16/h3-5,8,14-15,17H,2,6-7,10-11H2,1H3
InChIKeyWQIHBXHJRVFCFT-UHFFFAOYSA-N
XLogP2.46
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-ethyloxolan-3-yl)methylamino]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

2-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile
CID 114105332
3-[(1,4-dioxan-2-ylmethylamino)methyl]benzonitrile
CID 54893348
3-[[(3-methylcyclopentyl)methylamino]methyl]benzonitrile
CID 107411828
3-[[[(2R)-4-cyclopropylmorpholin-2-yl]methylamino]methyl]benzonitrile
CID 95322212
3-[[(4-propan-2-ylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 64535519
3-[[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methylamino]methyl]benzonitrile
CID 126837996
3-[(thian-2-ylmethylamino)methyl]benzonitrile
CID 80600472
(2R,3S)-N-[(3-cyanophenyl)methyl]-2-ethyl-N-methyloxane-3-carboxamide
CID 129492759
3-[[(4-benzylmorpholin-2-yl)methylamino]methyl]benzonitrile
CID 56810364
3-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
CID 79226743
3-[(2,2-dimethylpropylamino)methyl]benzonitrile
CID 61166413
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile (CID 114105210) is 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile is CCC1OCCC1CNCc1cccc(C#N)c1.
What is the InChIKey of 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile?
The InChIKey is WQIHBXHJRVFCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-15-14(6-7-18-15)11-17-10-13-5-3-4-12(8-13)9-16/h3-5,8,14-15,17H,2,6-7,10-11H2,1H3.
What are the key properties of 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile?
3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethyloxolan-3-yl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 114105210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).