2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine

C14H21N — CID 91239002

IUPAC2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine
SMILESC=C(c1cc(C)nc(C(C)C)c1)C(C)C
InChIInChI=1S/C14H21N/c1-9(2)12(6)13-7-11(5)15-14(8-13)10(3)4/h7-10H,6H2,1-5H3
InChIKeyKJMAIQCKFUXOEV-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.18
Rot. Bonds3

About 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine

2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine (PubChem CID 91239002) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine.

Molecular Properties

Compound Name2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine
PubChem CID91239002
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine
SMILESC=C(c1cc(C)nc(C(C)C)c1)C(C)C
InChIInChI=1S/C14H21N/c1-9(2)12(6)13-7-11(5)15-14(8-13)10(3)4/h7-10H,6H2,1-5H3
InChIKeyKJMAIQCKFUXOEV-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine?
The IUPAC name of 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine (CID 91239002) is 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine.
What is the SMILES notation for 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine?
The canonical SMILES for 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine is C=C(c1cc(C)nc(C(C)C)c1)C(C)C.
What is the InChIKey of 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine?
The InChIKey is KJMAIQCKFUXOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-9(2)12(6)13-7-11(5)15-14(8-13)10(3)4/h7-10H,6H2,1-5H3.
What are the key properties of 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine?
2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine has a molecular weight of 203.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbut-1-en-2-yl)-6-propan-2-ylpyridine is sourced from PubChem (CID 91239002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).