2-[1-cyclopropylethyl(methyl)amino]benzonitrile

C13H16N2 — CID 43420456

IUPAC2-[1-cyclopropylethyl(methyl)amino]benzonitrile
SMILESCC(C1CC1)N(C)c1ccccc1C#N
InChIInChI=1S/C13H16N2/c1-10(11-7-8-11)15(2)13-6-4-3-5-12(13)9-14/h3-6,10-11H,7-8H2,1-2H3
InChIKeyMXDZMRPPKNKBJF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.79
Rot. Bonds3

About 2-[1-cyclopropylethyl(methyl)amino]benzonitrile

2-[1-cyclopropylethyl(methyl)amino]benzonitrile (PubChem CID 43420456) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]benzonitrile
PubChem CID43420456
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]benzonitrile
SMILESCC(C1CC1)N(C)c1ccccc1C#N
InChIInChI=1S/C13H16N2/c1-10(11-7-8-11)15(2)13-6-4-3-5-12(13)9-14/h3-6,10-11H,7-8H2,1-2H3
InChIKeyMXDZMRPPKNKBJF-UHFFFAOYSA-N
XLogP2.79
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]benzonitrile?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]benzonitrile (CID 43420456) is 2-[1-cyclopropylethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]benzonitrile?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]benzonitrile is CC(C1CC1)N(C)c1ccccc1C#N.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]benzonitrile?
The InChIKey is MXDZMRPPKNKBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(11-7-8-11)15(2)13-6-4-3-5-12(13)9-14/h3-6,10-11H,7-8H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]benzonitrile?
2-[1-cyclopropylethyl(methyl)amino]benzonitrile has a molecular weight of 200.28 g/mol, XLogP of 2.79, 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]benzonitrile is sourced from PubChem (CID 43420456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).