4-(3-methylbutan-2-yl)-1,2-dihydropyridine

C10H17N — CID 89008856

IUPAC4-(3-methylbutan-2-yl)-1,2-dihydropyridine
SMILESCC(C)C(C)C1=CCNC=C1
InChIInChI=1S/C10H17N/c1-8(2)9(3)10-4-6-11-7-5-10/h4-6,8-9,11H,7H2,1-3H3
InChIKeyOEGYISOERUBUMQ-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.32
Rot. Bonds2

About 4-(3-methylbutan-2-yl)-1,2-dihydropyridine

4-(3-methylbutan-2-yl)-1,2-dihydropyridine (PubChem CID 89008856) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-(3-methylbutan-2-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-(3-methylbutan-2-yl)-1,2-dihydropyridine
PubChem CID89008856
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-(3-methylbutan-2-yl)-1,2-dihydropyridine
SMILESCC(C)C(C)C1=CCNC=C1
InChIInChI=1S/C10H17N/c1-8(2)9(3)10-4-6-11-7-5-10/h4-6,8-9,11H,7H2,1-3H3
InChIKeyOEGYISOERUBUMQ-UHFFFAOYSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(3-methylbutan-2-yl)-1,2-dihydropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-yl)-1,2-dihydropyridine?
The IUPAC name of 4-(3-methylbutan-2-yl)-1,2-dihydropyridine (CID 89008856) is 4-(3-methylbutan-2-yl)-1,2-dihydropyridine.
What is the SMILES notation for 4-(3-methylbutan-2-yl)-1,2-dihydropyridine?
The canonical SMILES for 4-(3-methylbutan-2-yl)-1,2-dihydropyridine is CC(C)C(C)C1=CCNC=C1.
What is the InChIKey of 4-(3-methylbutan-2-yl)-1,2-dihydropyridine?
The InChIKey is OEGYISOERUBUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)9(3)10-4-6-11-7-5-10/h4-6,8-9,11H,7H2,1-3H3.
What are the key properties of 4-(3-methylbutan-2-yl)-1,2-dihydropyridine?
4-(3-methylbutan-2-yl)-1,2-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-yl)-1,2-dihydropyridine is sourced from PubChem (CID 89008856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).