3-(1-cyclopropylpropylamino)benzonitrile

C13H16N2 — CID 64918582

IUPAC3-(1-cyclopropylpropylamino)benzonitrile
SMILESCCC(Nc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C13H16N2/c1-2-13(11-6-7-11)15-12-5-3-4-10(8-12)9-14/h3-5,8,11,13,15H,2,6-7H2,1H3
InChIKeyYPQARHDLSGTSJQ-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.16
Rot. Bonds4

About 3-(1-cyclopropylpropylamino)benzonitrile

3-(1-cyclopropylpropylamino)benzonitrile (PubChem CID 64918582) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-(1-cyclopropylpropylamino)benzonitrile.

Molecular Properties

Compound Name3-(1-cyclopropylpropylamino)benzonitrile
PubChem CID64918582
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name3-(1-cyclopropylpropylamino)benzonitrile
SMILESCCC(Nc1cccc(C#N)c1)C1CC1
InChIInChI=1S/C13H16N2/c1-2-13(11-6-7-11)15-12-5-3-4-10(8-12)9-14/h3-5,8,11,13,15H,2,6-7H2,1H3
InChIKeyYPQARHDLSGTSJQ-UHFFFAOYSA-N
XLogP3.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropyl)-3-propan-2-ylaniline
CID 64918380
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
3-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
CID 102816195
3-[(2-cyclopropyl-2-hydroxyethyl)amino]benzonitrile
CID 102822318
N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
CID 64917318
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
CID 62407232
3-(1-aminopropan-2-ylamino)benzonitrile
CID 82503421
3-[1-(4-ethylphenyl)propylamino]benzonitrile
CID 43309948
3-[[(2S)-2-methylbutyl]amino]benzonitrile
CID 28615968
ethyl 2-(3-cyanoanilino)butanoate
CID 64667136

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropylamino)benzonitrile?
The IUPAC name of 3-(1-cyclopropylpropylamino)benzonitrile (CID 64918582) is 3-(1-cyclopropylpropylamino)benzonitrile.
What is the SMILES notation for 3-(1-cyclopropylpropylamino)benzonitrile?
The canonical SMILES for 3-(1-cyclopropylpropylamino)benzonitrile is CCC(Nc1cccc(C#N)c1)C1CC1.
What is the InChIKey of 3-(1-cyclopropylpropylamino)benzonitrile?
The InChIKey is YPQARHDLSGTSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-13(11-6-7-11)15-12-5-3-4-10(8-12)9-14/h3-5,8,11,13,15H,2,6-7H2,1H3.
What are the key properties of 3-(1-cyclopropylpropylamino)benzonitrile?
3-(1-cyclopropylpropylamino)benzonitrile has a molecular weight of 200.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropylamino)benzonitrile is sourced from PubChem (CID 64918582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).