1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine

C13H21N — CID 20701235

IUPAC1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine
SMILESC=C1C=CC(C(C)C)=C(C(C)C)N1C
InChIInChI=1S/C13H21N/c1-9(2)12-8-7-11(5)14(6)13(12)10(3)4/h7-10H,5H2,1-4,6H3
InChIKeyJSHYNOOVEYTKHK-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.57
Rot. Bonds2

About 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine

1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine (PubChem CID 20701235) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine.

Molecular Properties

Compound Name1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine
PubChem CID20701235
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine
SMILESC=C1C=CC(C(C)C)=C(C(C)C)N1C
InChIInChI=1S/C13H21N/c1-9(2)12-8-7-11(5)14(6)13(12)10(3)4/h7-10H,5H2,1-4,6H3
InChIKeyJSHYNOOVEYTKHK-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 123629047
N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 142020198
(1Z,3Z,5Z)-1-fluoro-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-2-amine
CID 142309007
2-fluoro-N,N-dimethyl-5-propan-2-ylcyclohepta-1,3,5-trien-1-amine
CID 142309143
(3E,5Z,8Z)-4-fluoro-1,6,7,9-tetramethyl-2,7-dihydroazonine
CID 143750155
(6E)-1-ethyl-6-ethylidene-2-[(3E)-3-fluoropenta-1,3-dien-2-yl]-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyridine
CID 146385505
6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 155197686
(6Z)-N-(3-fluoro-2,2-dimethylpropyl)-N-methyl-6-propan-2-ylocta-1,4,6-trien-2-amine
CID 155197707
(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
CID 163475037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine?
The IUPAC name of 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine (CID 20701235) is 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine.
What is the SMILES notation for 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine?
The canonical SMILES for 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine is C=C1C=CC(C(C)C)=C(C(C)C)N1C.
What is the InChIKey of 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine?
The InChIKey is JSHYNOOVEYTKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)12-8-7-11(5)14(6)13(12)10(3)4/h7-10H,5H2,1-4,6H3.
What are the key properties of 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine?
1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine has a molecular weight of 191.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-methylidene-2,3-di(propan-2-yl)pyridine is sourced from PubChem (CID 20701235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).