1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile

C14H18N2 — CID 116958707

IUPAC1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1cccc(C)c1)C1(C#N)CCC1
InChIInChI=1S/C14H18N2/c1-11-5-3-6-12(9-11)13(16-2)14(10-15)7-4-8-14/h3,5-6,9,13,16H,4,7-8H2,1-2H3
InChIKeyLQQPQPCUJRHFEZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.95
Rot. Bonds3

About 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile

1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile (PubChem CID 116958707) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
PubChem CID116958707
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1cccc(C)c1)C1(C#N)CCC1
InChIInChI=1S/C14H18N2/c1-11-5-3-6-12(9-11)13(16-2)14(10-15)7-4-8-14/h3,5-6,9,13,16H,4,7-8H2,1-2H3
InChIKeyLQQPQPCUJRHFEZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
CID 116958624
1-[hydroxy-(3-methylphenyl)methyl]cyclopentane-1-carbonitrile
CID 79136710
N-methyl-1-(1-methylcyclopentyl)-1-(3-methylphenyl)methanamine
CID 115790477
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylphenyl)methanamine
CID 106829804
1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
CID 116961273
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
1-[2,3-dihydro-1,4-benzodioxin-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958640
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958669
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 116958677
methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116959191
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958696

Frequently Asked Questions

What is the IUPAC name of 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile (CID 116958707) is 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile is CNC(c1cccc(C)c1)C1(C#N)CCC1.
What is the InChIKey of 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile?
The InChIKey is LQQPQPCUJRHFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-5-3-6-12(9-11)13(16-2)14(10-15)7-4-8-14/h3,5-6,9,13,16H,4,7-8H2,1-2H3.
What are the key properties of 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile?
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116958707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).