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

C14H18N2 — CID 114480814

IUPAC3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CNC1(C)CCC1
InChIInChI=1S/C14H18N2/c1-11-8-12(9-15)4-5-13(11)10-16-14(2)6-3-7-14/h4-5,8,16H,3,6-7,10H2,1-2H3
InChIKeyYLDBLAZFGHPAQW-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.90
Rot. Bonds3

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

3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile (PubChem CID 114480814) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile
PubChem CID114480814
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile
SMILESCc1cc(C#N)ccc1CNC1(C)CCC1
InChIInChI=1S/C14H18N2/c1-11-8-12(9-15)4-5-13(11)10-16-14(2)6-3-7-14/h4-5,8,16H,3,6-7,10H2,1-2H3
InChIKeyYLDBLAZFGHPAQW-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-[[(1-methylcyclohexyl)amino]methyl]benzonitrile
CID 114480166
3-methyl-4-[[(1-methylcyclopropyl)amino]methyl]benzonitrile
CID 114480812
3-methyl-4-[[(1-methylcyclobutyl)methylamino]methyl]benzonitrile
CID 114107870
4-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-3-methylbenzonitrile
CID 114480615
4-[(cyclopentylamino)methyl]-3-methylbenzonitrile
CID 114479554
4-[(2-aminoethylamino)methyl]-3-methylbenzonitrile
CID 114480201
N-[(2,5-dimethylphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765888
4-(butylaminomethyl)-3-methylbenzonitrile
CID 114479615
4-[(1-hydroxypropan-2-ylamino)methyl]-3-methylbenzonitrile
CID 114479854
4-[[(2-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzonitrile
CID 114480410
3-methyl-4-(piperidin-1-ylmethyl)benzonitrile
CID 114480957
3-methyl-4-[(pent-3-ynylamino)methyl]benzonitrile
CID 114480868

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile?
The IUPAC name of 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile (CID 114480814) is 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile?
The canonical SMILES for 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile is Cc1cc(C#N)ccc1CNC1(C)CCC1.
What is the InChIKey of 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile?
The InChIKey is YLDBLAZFGHPAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-8-12(9-15)4-5-13(11)10-16-14(2)6-3-7-14/h4-5,8,16H,3,6-7,10H2,1-2H3.
What are the key properties of 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile?
3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[(1-methylcyclobutyl)amino]methyl]benzonitrile is sourced from PubChem (CID 114480814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).