1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile

C13H16N2 — CID 116958624

IUPAC1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1ccccc1)C1(C#N)CCC1
InChIInChI=1S/C13H16N2/c1-15-12(11-6-3-2-4-7-11)13(10-14)8-5-9-13/h2-4,6-7,12,15H,5,8-9H2,1H3
InChIKeyJNLCFKRSUOIAKF-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.64
Rot. Bonds3

About 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile

1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile (PubChem CID 116958624) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
PubChem CID116958624
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1ccccc1)C1(C#N)CCC1
InChIInChI=1S/C13H16N2/c1-15-12(11-6-3-2-4-7-11)13(10-14)8-5-9-13/h2-4,6-7,12,15H,5,8-9H2,1H3
InChIKeyJNLCFKRSUOIAKF-UHFFFAOYSA-N
XLogP2.64
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 61810
Amphetaminil
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2-Amino-2-phenylacetonitrile
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N-Methyl-1-phenylethylamine
CID 577403
827-36-1
CID 13227
N-Butyl-alpha-methylbenzenemethanamine
CID 21518
N-(Diphenylmethyl)methylamine
CID 411467
3-(Methylaminomethyl)benzonitrile
CID 457595
Benzonitrile, 3-((propylamino)methyl)-
CID 457597
Benzonitrile, 3-((butylamino)methyl)-
CID 457598
3-(Benzylamino)propionitrile
CID 69719
1,2-Diphenylethyl-N-methylamine
CID 110986

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile (CID 116958624) is 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile is CNC(c1ccccc1)C1(C#N)CCC1.
What is the InChIKey of 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is JNLCFKRSUOIAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-15-12(11-6-3-2-4-7-11)13(10-14)8-5-9-13/h2-4,6-7,12,15H,5,8-9H2,1H3.
What are the key properties of 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile?
1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 200.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116958624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).