2-[(2-ethylbutylamino)methyl]benzonitrile

C14H20N2 — CID 115767858

IUPAC2-[(2-ethylbutylamino)methyl]benzonitrile
SMILESCCC(CC)CNCc1ccccc1C#N
InChIInChI=1S/C14H20N2/c1-3-12(4-2)10-16-11-14-8-6-5-7-13(14)9-15/h5-8,12,16H,3-4,10-11H2,1-2H3
InChIKeyQVQVEQSSZHBWCC-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.08
Rot. Bonds6

About 2-[(2-ethylbutylamino)methyl]benzonitrile

2-[(2-ethylbutylamino)methyl]benzonitrile (PubChem CID 115767858) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[(2-ethylbutylamino)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(2-ethylbutylamino)methyl]benzonitrile
PubChem CID115767858
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[(2-ethylbutylamino)methyl]benzonitrile
SMILESCCC(CC)CNCc1ccccc1C#N
InChIInChI=1S/C14H20N2/c1-3-12(4-2)10-16-11-14-8-6-5-7-13(14)9-15/h5-8,12,16H,3-4,10-11H2,1-2H3
InChIKeyQVQVEQSSZHBWCC-UHFFFAOYSA-N
XLogP3.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 46942219
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2-[(2,2,3-trimethylbutylamino)methyl]benzonitrile
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2-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzonitrile
CID 107935941
2-[(2,2-dimethylhydrazinyl)methyl]benzonitrile
CID 107936000
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
2-[[(1-methyl-1,2,4-triazol-3-yl)methylamino]methyl]benzonitrile
CID 103884452
2-[[2-(2,6-dimethylphenyl)ethylamino]methyl]benzonitrile
CID 143173601
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzonitrile
CID 54958837
2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylbutylamino)methyl]benzonitrile?
The IUPAC name of 2-[(2-ethylbutylamino)methyl]benzonitrile (CID 115767858) is 2-[(2-ethylbutylamino)methyl]benzonitrile.
What is the SMILES notation for 2-[(2-ethylbutylamino)methyl]benzonitrile?
The canonical SMILES for 2-[(2-ethylbutylamino)methyl]benzonitrile is CCC(CC)CNCc1ccccc1C#N.
What is the InChIKey of 2-[(2-ethylbutylamino)methyl]benzonitrile?
The InChIKey is QVQVEQSSZHBWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-12(4-2)10-16-11-14-8-6-5-7-13(14)9-15/h5-8,12,16H,3-4,10-11H2,1-2H3.
What are the key properties of 2-[(2-ethylbutylamino)methyl]benzonitrile?
2-[(2-ethylbutylamino)methyl]benzonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylbutylamino)methyl]benzonitrile is sourced from PubChem (CID 115767858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).