3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane

C16H25N — CID 176949373

IUPAC3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane
SMILESC=C(C)c1cncc(C)c1.CC(C)C1CCC1
InChIInChI=1S/C9H11N.C7H14/c1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-4-3-5-7/h4-6H,1H2,2-3H3;6-7H,3-5H2,1-2H3
InChIKeyGVIBICJGTZJQNM-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.87
Rot. Bonds2

About 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane

3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane (PubChem CID 176949373) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane.

Molecular Properties

Compound Name3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane
PubChem CID176949373
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane
SMILESC=C(C)c1cncc(C)c1.CC(C)C1CCC1
InChIInChI=1S/C9H11N.C7H14/c1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-4-3-5-7/h4-6H,1H2,2-3H3;6-7H,3-5H2,1-2H3
InChIKeyGVIBICJGTZJQNM-UHFFFAOYSA-N
XLogP4.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane 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

(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
CID 116750950
1-(5-methyl-3-pyridinyl)-3-piperidin-3-ylbutan-1-one
CID 116594369
propan-2-ylcyclobutane;1,4-xylene
CID 161065038
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 115374663
N-(1-cyclopentylethyl)-5-methylpyridin-3-amine
CID 115922263
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
3-cyclobutyloxy-5-methylpyridine
CID 130057239
2-methylpropane;5-methylpyridine-3-carboxamide
CID 165136425
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
(5-methyl-3-pyridinyl)-pyrrolidin-2-ylmethanone
CID 116547444

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane?
The IUPAC name of 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane (CID 176949373) is 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane.
What is the SMILES notation for 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane?
The canonical SMILES for 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane is C=C(C)c1cncc(C)c1.CC(C)C1CCC1.
What is the InChIKey of 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane?
The InChIKey is GVIBICJGTZJQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C7H14/c1-7(2)9-4-8(3)5-10-6-9;1-6(2)7-4-3-5-7/h4-6H,1H2,2-3H3;6-7H,3-5H2,1-2H3.
What are the key properties of 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane?
3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane has a molecular weight of 231.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-prop-1-en-2-ylpyridine;propan-2-ylcyclobutane is sourced from PubChem (CID 176949373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).