2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile

C14H18N2 — CID 107106504

IUPAC2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1N(C)C(C)C1CC1
InChIInChI=1S/C14H18N2/c1-10-5-4-6-13(9-15)14(10)16(3)11(2)12-7-8-12/h4-6,11-12H,7-8H2,1-3H3
InChIKeyPVBRPYDKHRFVHQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.10
Rot. Bonds3

About 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile

2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile (PubChem CID 107106504) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile
PubChem CID107106504
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile
SMILESCc1cccc(C#N)c1N(C)C(C)C1CC1
InChIInChI=1S/C14H18N2/c1-10-5-4-6-13(9-15)14(10)16(3)11(2)12-7-8-12/h4-6,11-12H,7-8H2,1-3H3
InChIKeyPVBRPYDKHRFVHQ-UHFFFAOYSA-N
XLogP3.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-cyclopropylethyl(methyl)amino]benzonitrile
CID 43420456
3-methyl-2-[methyl(pentan-3-yl)amino]benzonitrile
CID 107106506
2-[1-(2-fluorophenyl)ethyl-methylamino]-3-methylbenzonitrile
CID 107106853
3-methyl-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 107111521
2-cyano-N-(1-cyclopropylethyl)-N-methylbenzenesulfonamide
CID 42942284
2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
CID 43569118
3-methyl-2-[methyl(prop-2-ynyl)amino]benzonitrile
CID 107107122
N-(2-cyanophenyl)-2-[1-cyclopropylethyl(methyl)amino]propanamide
CID 43569136
N-(1-cyclopropylethyl)-N-methylaniline
CID 134851823
2-[(2-hydroxy-2-methylpropyl)-methylamino]-3-methylbenzonitrile
CID 107107039
1-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 134022614
2-[[1-cyclopropylethyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760699

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile (CID 107106504) is 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile is Cc1cccc(C#N)c1N(C)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile?
The InChIKey is PVBRPYDKHRFVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-5-4-6-13(9-15)14(10)16(3)11(2)12-7-8-12/h4-6,11-12H,7-8H2,1-3H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile?
2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-3-methylbenzonitrile is sourced from PubChem (CID 107106504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).