1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile

C14H18N2 — CID 64904200

IUPAC1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCC(C)NC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C14H18N2/c1-11(2)16-13-8-14(9-13,10-15)12-6-4-3-5-7-12/h3-7,11,13,16H,8-9H2,1-2H3
InChIKeyDKQSJWNVYHOQOB-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.61
Rot. Bonds3

About 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile

1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile (PubChem CID 64904200) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
PubChem CID64904200
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
SMILESCC(C)NC1CC(C#N)(c2ccccc2)C1
InChIInChI=1S/C14H18N2/c1-11(2)16-13-8-14(9-13,10-15)12-6-4-3-5-7-12/h3-7,11,13,16H,8-9H2,1-2H3
InChIKeyDKQSJWNVYHOQOB-UHFFFAOYSA-N
XLogP2.61
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-3-(propan-2-ylamino)cyclobutane-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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile (CID 64904200) is 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile is CC(C)NC1CC(C#N)(c2ccccc2)C1.
What is the InChIKey of 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile?
The InChIKey is DKQSJWNVYHOQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(2)16-13-8-14(9-13,10-15)12-6-4-3-5-7-12/h3-7,11,13,16H,8-9H2,1-2H3.
What are the key properties of 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile?
1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 64904200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).