2-[butyl(ethyl)amino]-3-methylbenzonitrile

C14H20N2 — CID 107106343

IUPAC2-[butyl(ethyl)amino]-3-methylbenzonitrile
SMILESCCCCN(CC)c1c(C)cccc1C#N
InChIInChI=1S/C14H20N2/c1-4-6-10-16(5-2)14-12(3)8-7-9-13(14)11-15/h7-9H,4-6,10H2,1-3H3
InChIKeyKYCGJNOCIIKWPG-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.49
Rot. Bonds5

About 2-[butyl(ethyl)amino]-3-methylbenzonitrile

2-[butyl(ethyl)amino]-3-methylbenzonitrile (PubChem CID 107106343) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-3-methylbenzonitrile
PubChem CID107106343
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[butyl(ethyl)amino]-3-methylbenzonitrile
SMILESCCCCN(CC)c1c(C)cccc1C#N
InChIInChI=1S/C14H20N2/c1-4-6-10-16(5-2)14-12(3)8-7-9-13(14)11-15/h7-9H,4-6,10H2,1-3H3
InChIKeyKYCGJNOCIIKWPG-UHFFFAOYSA-N
XLogP3.49
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-2,6-dimethylaniline
CID 100917562
3-methyl-2-[methyl(pentan-3-yl)amino]benzonitrile
CID 107106506
N,N'-bis(2,6-dimethylphenyl)-N'-ethyl-N-methylpropane-1,3-diamine
CID 170189263
2-[5-hydroxypentyl(methyl)amino]-3-methylbenzonitrile
CID 107199604
3-(2-amino-N-ethyl-6-methylanilino)propanenitrile
CID 115550305
2-[butyl(2-hydroxyethyl)amino]benzonitrile
CID 61448491
2-[ethyl(propyl)amino]benzonitrile
CID 43268868
2-(N-butyl-2,6-dimethylanilino)acetic acid
CID 70523959
3-methyl-2-[methyl(prop-2-ynyl)amino]benzonitrile
CID 107107122
2-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzonitrile
CID 107107039
2-(2,6-dicyano-N-propylanilino)acetic acid
CID 122051367
3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
CID 107105813

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-3-methylbenzonitrile?
The IUPAC name of 2-[butyl(ethyl)amino]-3-methylbenzonitrile (CID 107106343) is 2-[butyl(ethyl)amino]-3-methylbenzonitrile.
What is the SMILES notation for 2-[butyl(ethyl)amino]-3-methylbenzonitrile?
The canonical SMILES for 2-[butyl(ethyl)amino]-3-methylbenzonitrile is CCCCN(CC)c1c(C)cccc1C#N.
What is the InChIKey of 2-[butyl(ethyl)amino]-3-methylbenzonitrile?
The InChIKey is KYCGJNOCIIKWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-6-10-16(5-2)14-12(3)8-7-9-13(14)11-15/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 2-[butyl(ethyl)amino]-3-methylbenzonitrile?
2-[butyl(ethyl)amino]-3-methylbenzonitrile has a molecular weight of 216.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-3-methylbenzonitrile is sourced from PubChem (CID 107106343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).