4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile

C14H18N2 — CID 115906392

IUPAC4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile
SMILESCC1CC(NC(C)c2ccc(C#N)cc2)C1
InChIInChI=1S/C14H18N2/c1-10-7-14(8-10)16-11(2)13-5-3-12(9-15)4-6-13/h3-6,10-11,14,16H,7-8H2,1-2H3
InChIKeyQMRAVWKFOCBISM-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.01
Rot. Bonds3

About 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile

4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile (PubChem CID 115906392) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile
PubChem CID115906392
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile
SMILESCC1CC(NC(C)c2ccc(C#N)cc2)C1
InChIInChI=1S/C14H18N2/c1-10-7-14(8-10)16-11(2)13-5-3-12(9-15)4-6-13/h3-6,10-11,14,16H,7-8H2,1-2H3
InChIKeyQMRAVWKFOCBISM-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
4-[1-[(2,4-dimethylcyclohexyl)amino]ethyl]benzonitrile
CID 63994071
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64753603
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
4-[1-[(1-cyclopropylpiperidin-4-yl)amino]ethyl]benzonitrile
CID 43747068
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
4-[1-[(2-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43194954
4-[1-[(4,4-dimethylcycloheptyl)amino]ethyl]benzonitrile
CID 65084191
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
3-[1-[(4-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43761537

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile?
The IUPAC name of 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile (CID 115906392) is 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile is CC1CC(NC(C)c2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile?
The InChIKey is QMRAVWKFOCBISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-7-14(8-10)16-11(2)13-5-3-12(9-15)4-6-13/h3-6,10-11,14,16H,7-8H2,1-2H3.
What are the key properties of 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile?
4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methylcyclobutyl)amino]ethyl]benzonitrile is sourced from PubChem (CID 115906392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).