2-tert-butyl-5-methylidene-4H-pyridine

C10H15N — CID 58468592

IUPAC2-tert-butyl-5-methylidene-4H-pyridine
SMILESC=C1C=NC(C(C)(C)C)=CC1
InChIInChI=1S/C10H15N/c1-8-5-6-9(11-7-8)10(2,3)4/h6-7H,1,5H2,2-4H3
InChIKeyKTNBEWMQNCYLNK-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds

About 2-tert-butyl-5-methylidene-4H-pyridine

2-tert-butyl-5-methylidene-4H-pyridine (PubChem CID 58468592) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-tert-butyl-5-methylidene-4H-pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-methylidene-4H-pyridine
PubChem CID58468592
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-tert-butyl-5-methylidene-4H-pyridine
SMILESC=C1C=NC(C(C)(C)C)=CC1
InChIInChI=1S/C10H15N/c1-8-5-6-9(11-7-8)10(2,3)4/h6-7H,1,5H2,2-4H3
InChIKeyKTNBEWMQNCYLNK-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-5-methylidene-4H-pyridine 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

(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
(2E)-2-ethylidene-3,3-difluoro-N-prop-1-en-2-ylpentan-1-imine
CID 171492771
(2Z,6E)-7-(1,1-difluoroethyl)-2-methyl-4,5-dihydroazocine
CID 171493546
(2Z,6E)-2-ethyl-7-(trifluoromethyl)-4,5-dihydroazocine
CID 176969220
(2Z,6E)-2-methyl-7-(trifluoromethyl)-4,5-dihydroazocine
CID 171493309
6-Methyl-3,4-dihydropyridine
CID 14979256
6-Ethyl-3,4-dihydropyridine
CID 14979257
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
6-Tert-butyl-3,4-dihydropyridine
CID 14979259
2,5-Dimethyl-2,3-dihydropyridine
CID 20872587
2,4-Dimethylidene-5-propan-2-ylidenepyridine
CID 23532167
4,4,6-trimethyl-3H-pyridine
CID 57056845

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methylidene-4H-pyridine?
The IUPAC name of 2-tert-butyl-5-methylidene-4H-pyridine (CID 58468592) is 2-tert-butyl-5-methylidene-4H-pyridine.
What is the SMILES notation for 2-tert-butyl-5-methylidene-4H-pyridine?
The canonical SMILES for 2-tert-butyl-5-methylidene-4H-pyridine is C=C1C=NC(C(C)(C)C)=CC1.
What is the InChIKey of 2-tert-butyl-5-methylidene-4H-pyridine?
The InChIKey is KTNBEWMQNCYLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-8-5-6-9(11-7-8)10(2,3)4/h6-7H,1,5H2,2-4H3.
What are the key properties of 2-tert-butyl-5-methylidene-4H-pyridine?
2-tert-butyl-5-methylidene-4H-pyridine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methylidene-4H-pyridine is sourced from PubChem (CID 58468592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).