3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine

C13H19N — CID 123806212

IUPAC3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine
SMILESCC(=c1cccnc1=C(C)C)C(C)C
InChIInChI=1S/C13H19N/c1-9(2)11(5)12-7-6-8-14-13(12)10(3)4/h6-9H,1-5H3
InChIKeyOEQLFYASYYNYFU-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.10
Rot. Bonds1

About 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine

3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine (PubChem CID 123806212) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine.

Molecular Properties

Compound Name3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine
PubChem CID123806212
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine
SMILESCC(=c1cccnc1=C(C)C)C(C)C
InChIInChI=1S/C13H19N/c1-9(2)11(5)12-7-6-8-14-13(12)10(3)4/h6-9H,1-5H3
InChIKeyOEQLFYASYYNYFU-UHFFFAOYSA-N
XLogP2.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(carbene)pyridine
CID 59931162
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
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(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenepyridine
CID 144425521
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
CID 163739316
(E)-N-[(2E,5E)-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 163875287
N-[(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-trien-3-yl]ethanimine
CID 163986819
(E)-N-[(2E)-3-fluoro-4-methylidenehepta-2,5,6-trien-2-yl]but-2-en-1-imine
CID 166976469
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
CID 166976510
(2E)-2-but-3-en-2-ylidene-5-fluoro-3-methylidenepyridine
CID 153377252
N-(6-propylidenecyclohexa-1,3-dien-1-yl)propan-1-imine
CID 53831115

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine?
The IUPAC name of 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine (CID 123806212) is 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine.
What is the SMILES notation for 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine?
The canonical SMILES for 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine is CC(=c1cccnc1=C(C)C)C(C)C.
What is the InChIKey of 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine?
The InChIKey is OEQLFYASYYNYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-9(2)11(5)12-7-6-8-14-13(12)10(3)4/h6-9H,1-5H3.
What are the key properties of 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine?
3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine has a molecular weight of 189.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-ylidene)-2-propan-2-ylidenepyridine is sourced from PubChem (CID 123806212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).