2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile

C13H20N2 — CID 131995056

IUPAC2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile
SMILESCCCC(C#N)CCC1=CC=C(C)CN1
InChIInChI=1S/C13H20N2/c1-3-4-12(9-14)6-8-13-7-5-11(2)10-15-13/h5,7,12,15H,3-4,6,8,10H2,1-2H3
InChIKeyXUMKHWWJABBGAC-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.14
Rot. Bonds5

About 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile

2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile (PubChem CID 131995056) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile
PubChem CID131995056
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile
SMILESCCCC(C#N)CCC1=CC=C(C)CN1
InChIInChI=1S/C13H20N2/c1-3-4-12(9-14)6-8-13-7-5-11(2)10-15-13/h5,7,12,15H,3-4,6,8,10H2,1-2H3
InChIKeyXUMKHWWJABBGAC-UHFFFAOYSA-N
XLogP3.14
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Hexahydroquinoline-3-carbonitrile
CID 141238461
4-[[(2R)-2-methylbutyl]amino]-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile
CID 144950941
N-[1-[4-[(E)-but-2-en-2-yl]cyclohexa-1,3-dien-1-yl]ethenyl]-2-ethyl-4-fluoro-4-methylpentan-1-amine
CID 146578963
2-amino-3-(6-fluoro-6-methyl-2,5,7,8-tetrahydro-1H-quinolin-3-yl)propanenitrile
CID 170632541
3-[(1R,4S)-4-(ethylamino)cyclohex-2-en-1-yl]propanenitrile
CID 10930682
2-[3-(2-Ethylhexylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 15918514
N-(2-ethylhexyl)cyclohexen-1-amine
CID 20487841
3,6-Dimethylidene-4-propan-2-yl-1,2-dihydropyridine
CID 22959176
4-(2,3-dimethyl-2,3-dihydro-1H-pyrrol-4-yl)-1,2,3,6-tetrahydropyridine
CID 58891497
2-pentyl-1H-pyridine-2-carbonitrile
CID 67594317
4-[(Pentylamino)methyl]cyclohexene-1-carbonitrile
CID 70191315
2-[4-(Ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile
CID 70336718

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile?
The IUPAC name of 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile (CID 131995056) is 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile.
What is the SMILES notation for 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile?
The canonical SMILES for 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile is CCCC(C#N)CCC1=CC=C(C)CN1.
What is the InChIKey of 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile?
The InChIKey is XUMKHWWJABBGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-4-12(9-14)6-8-13-7-5-11(2)10-15-13/h5,7,12,15H,3-4,6,8,10H2,1-2H3.
What are the key properties of 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile?
2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile has a molecular weight of 204.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1,2-dihydropyridin-6-yl)ethyl]pentanenitrile is sourced from PubChem (CID 131995056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).