6-(3-methylbutan-2-yl)-2,3-dihydropyridine

C10H17N — CID 91073798

IUPAC6-(3-methylbutan-2-yl)-2,3-dihydropyridine
SMILESCC(C)C(C)C1=NCCC=C1
InChIInChI=1S/C10H17N/c1-8(2)9(3)10-6-4-5-7-11-10/h4,6,8-9H,5,7H2,1-3H3
InChIKeyQJAUVQWIJGJWLD-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.68
Rot. Bonds2

About 6-(3-methylbutan-2-yl)-2,3-dihydropyridine

6-(3-methylbutan-2-yl)-2,3-dihydropyridine (PubChem CID 91073798) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 6-(3-methylbutan-2-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(3-methylbutan-2-yl)-2,3-dihydropyridine
PubChem CID91073798
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name6-(3-methylbutan-2-yl)-2,3-dihydropyridine
SMILESCC(C)C(C)C1=NCCC=C1
InChIInChI=1S/C10H17N/c1-8(2)9(3)10-6-4-5-7-11-10/h4,6,8-9H,5,7H2,1-3H3
InChIKeyQJAUVQWIJGJWLD-UHFFFAOYSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(3-methylbutan-2-yl)-2,3-dihydropyridine 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

6-fluoro-N,4-dimethylcyclohex-2-en-1-imine
CID 123297893
(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine
CID 166470434
(5S)-N-ethyl-7-fluoro-5,6-dimethylcyclohept-2-en-1-imine
CID 173683200
(Z)-8-fluoro-N,2-dimethylnon-4-en-3-imine
CID 174356459
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
6-[(2S)-butan-2-yl]-3-fluoro-2,3-dihydropyridine
CID 144060408
3-Fluoro-6-propan-2-yl-2,3-dihydropyridine
CID 144060413
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
3-ethenyl-4,5,6-trimethyl-3a,7a-dihydro-1H-isoindole
CID 20634344
6-Cyclopentyl-2,3-dihydropyridine
CID 54515633
3-(5-Ethyliminocyclohex-3-en-1-yl)prop-2-enenitrile
CID 57045035

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutan-2-yl)-2,3-dihydropyridine?
The IUPAC name of 6-(3-methylbutan-2-yl)-2,3-dihydropyridine (CID 91073798) is 6-(3-methylbutan-2-yl)-2,3-dihydropyridine.
What is the SMILES notation for 6-(3-methylbutan-2-yl)-2,3-dihydropyridine?
The canonical SMILES for 6-(3-methylbutan-2-yl)-2,3-dihydropyridine is CC(C)C(C)C1=NCCC=C1.
What is the InChIKey of 6-(3-methylbutan-2-yl)-2,3-dihydropyridine?
The InChIKey is QJAUVQWIJGJWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)9(3)10-6-4-5-7-11-10/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 6-(3-methylbutan-2-yl)-2,3-dihydropyridine?
6-(3-methylbutan-2-yl)-2,3-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutan-2-yl)-2,3-dihydropyridine is sourced from PubChem (CID 91073798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).