2-[cyclopropyl(ethyl)amino]benzonitrile

C12H14N2 — CID 43264326

IUPAC2-[cyclopropyl(ethyl)amino]benzonitrile
SMILESCCN(c1ccccc1C#N)C1CC1
InChIInChI=1S/C12H14N2/c1-2-14(11-7-8-11)12-6-4-3-5-10(12)9-13/h3-6,11H,2,7-8H2,1H3
InChIKeyYBUWRESZEBRUJD-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.55
Rot. Bonds3

About 2-[cyclopropyl(ethyl)amino]benzonitrile

2-[cyclopropyl(ethyl)amino]benzonitrile (PubChem CID 43264326) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]benzonitrile
PubChem CID43264326
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-[cyclopropyl(ethyl)amino]benzonitrile
SMILESCCN(c1ccccc1C#N)C1CC1
InChIInChI=1S/C12H14N2/c1-2-14(11-7-8-11)12-6-4-3-5-10(12)9-13/h3-6,11H,2,7-8H2,1H3
InChIKeyYBUWRESZEBRUJD-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminophenyl)methyl-cyclopropylamino]benzonitrile
CID 60876666
N-cyclopropyl-N-ethyl-2-methylaniline
CID 123141006
2-[cyclopropyl(thiophen-3-ylmethyl)amino]benzonitrile
CID 61435368
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
CID 62494913
2-[[4-(ethylamino)cyclohexyl]-methylamino]benzonitrile
CID 114763507
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816
2-[ethyl(propyl)amino]benzonitrile
CID 43268868
3-bromo-4-[cyclopropyl(ethyl)amino]benzonitrile
CID 82797601
2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
CID 64747727
(1S)-1-[2-[cyclopropyl(ethyl)amino]phenyl]propan-1-ol
CID 103959730
2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
CID 107927022
2-(2-cyanophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 43243362

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]benzonitrile?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]benzonitrile (CID 43264326) is 2-[cyclopropyl(ethyl)amino]benzonitrile.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]benzonitrile?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]benzonitrile is CCN(c1ccccc1C#N)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]benzonitrile?
The InChIKey is YBUWRESZEBRUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-14(11-7-8-11)12-6-4-3-5-10(12)9-13/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]benzonitrile?
2-[cyclopropyl(ethyl)amino]benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]benzonitrile is sourced from PubChem (CID 43264326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).