3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile

C17H22N2O — CID 64906292

IUPAC3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC(NC2CCCCC2O)C1
InChIInChI=1S/C17H22N2O/c18-12-17(13-6-2-1-3-7-13)10-14(11-17)19-15-8-4-5-9-16(15)20/h1-3,6-7,14-16,19-20H,4-5,8-11H2
InChIKeyLYHDWYHSNWIQIZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.50
Rot. Bonds3

About 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile

3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 64906292) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID64906292
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC(NC2CCCCC2O)C1
InChIInChI=1S/C17H22N2O/c18-12-17(13-6-2-1-3-7-13)10-14(11-17)19-15-8-4-5-9-16(15)20/h1-3,6-7,14-16,19-20H,4-5,8-11H2
InChIKeyLYHDWYHSNWIQIZ-UHFFFAOYSA-N
XLogP2.50
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile
CID 82684802
1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904200
3-[(4-ethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
CID 64906291
3-[(3,4-dimethylcyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile
CID 64904860
3-anilino-1-phenylcyclobutane-1-carbonitrile
CID 64903993
trans-(1S,2S)-2-(2,3-dihydro-1H-inden-2-ylamino)cyclohexan-1-ol
CID 94414341
3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904409
3-(4-hydroxybutylamino)-1-phenylcyclobutane-1-carbonitrile
CID 106840979
3-(4-hydroxypentylamino)-1-phenylcyclobutane-1-carbonitrile
CID 107270220
3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide
CID 64905863
3-[(1-methylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102613024
3-(2,2-dimethylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905056

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile (CID 64906292) is 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile is N#CC1(c2ccccc2)CC(NC2CCCCC2O)C1.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is LYHDWYHSNWIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-12-17(13-6-2-1-3-7-13)10-14(11-17)19-15-8-4-5-9-16(15)20/h1-3,6-7,14-16,19-20H,4-5,8-11H2.
What are the key properties of 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile?
3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)amino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 64906292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).