3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile

C14H18N2 — CID 174500203

IUPAC3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile
SMILESCCCN(C)C1CC1c1cccc(C#N)c1
InChIInChI=1S/C14H18N2/c1-3-7-16(2)14-9-13(14)12-6-4-5-11(8-12)10-15/h4-6,8,13-14H,3,7,9H2,1-2H3
InChIKeyBGWHAQKNRSCSCX-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.76
Rot. Bonds4

About 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile

3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile (PubChem CID 174500203) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile
PubChem CID174500203
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile
SMILESCCCN(C)C1CC1c1cccc(C#N)c1
InChIInChI=1S/C14H18N2/c1-3-7-16(2)14-9-13(14)12-6-4-5-11(8-12)10-15/h4-6,8,13-14H,3,7,9H2,1-2H3
InChIKeyBGWHAQKNRSCSCX-UHFFFAOYSA-N
XLogP2.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R,2R)-2-(aminomethyl)cyclopropyl]benzonitrile
CID 94556811
3-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzonitrile
CID 16688303
2-phenyl-N,N-dipropylcyclopropan-1-amine;hydrochloride
CID 45264199
3-[(1R,2R)-2-aminocyclopentyl]benzonitrile
CID 130943914
3-[(2S)-oxiran-2-yl]benzonitrile
CID 53471231
N-[2-(3-ethylphenyl)cyclopropyl]-N-methylbutanamide
CID 67593136
3-[4-[3-[ethyl(propyl)amino]propyl]phenyl]benzonitrile
CID 142237675
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
3-[2-[cyclopropyl(methyl)amino]ethoxy]benzonitrile
CID 43288952
6-(3-cyanophenyl)-N,N-diethyl-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
CID 18144310
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 47356566
3-(5-ethyl-1-oxo-1,4-thiazinan-3-yl)benzonitrile
CID 66228197

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile?
The IUPAC name of 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile (CID 174500203) is 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile.
What is the SMILES notation for 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile?
The canonical SMILES for 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile is CCCN(C)C1CC1c1cccc(C#N)c1.
What is the InChIKey of 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile?
The InChIKey is BGWHAQKNRSCSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-7-16(2)14-9-13(14)12-6-4-5-11(8-12)10-15/h4-6,8,13-14H,3,7,9H2,1-2H3.
What are the key properties of 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile?
3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(propyl)amino]cyclopropyl]benzonitrile is sourced from PubChem (CID 174500203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).