3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile

C17H22N2O2 — CID 104759762

IUPAC3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCOC1(CNC2CC(C#N)(c3ccccc3)C2)CCOC1
InChIInChI=1S/C17H22N2O2/c1-20-17(7-8-21-13-17)12-19-15-9-16(10-15,11-18)14-5-3-2-4-6-14/h2-6,15,19H,7-10,12-13H2,1H3
InChIKeyGKWWUFNXRLPNLE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.01
Rot. Bonds5

About 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile

3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 104759762) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID104759762
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCOC1(CNC2CC(C#N)(c3ccccc3)C2)CCOC1
InChIInChI=1S/C17H22N2O2/c1-20-17(7-8-21-13-17)12-19-15-9-16(10-15,11-18)14-5-3-2-4-6-14/h2-6,15,19H,7-10,12-13H2,1H3
InChIKeyGKWWUFNXRLPNLE-UHFFFAOYSA-N
XLogP2.01
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile 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-[(1-methylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102613024
3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612903
3-(3-methoxypropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904843
3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904409
1-benzyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-amine
CID 104705115
3-(2,2-dimethylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905056
3-(but-2-ynylamino)-1-phenylcyclobutane-1-carbonitrile
CID 113464533
N-[(3-methoxyoxolan-3-yl)methyl]-2-phenylcyclohexan-1-amine
CID 104705865
3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 64904853
3-(butylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905853
3-[(2-methyl-3-methylsulfanylpropyl)amino]-1-phenylcyclobutane-1-carbonitrile
CID 64906087
3-(4-bromophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]cyclobutan-1-amine
CID 104759771

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile (CID 104759762) is 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile is COC1(CNC2CC(C#N)(c3ccccc3)C2)CCOC1.
What is the InChIKey of 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is GKWWUFNXRLPNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-20-17(7-8-21-13-17)12-19-15-9-16(10-15,11-18)14-5-3-2-4-6-14/h2-6,15,19H,7-10,12-13H2,1H3.
What are the key properties of 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 286.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyoxolan-3-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 104759762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).