3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine

C16H23N — CID 170285404

IUPAC3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine
SMILESCCC(C)C(/C=C\c1ncccc1C)=C(C)C
InChIInChI=1S/C16H23N/c1-6-13(4)15(12(2)3)9-10-16-14(5)8-7-11-17-16/h7-11,13H,6H2,1-5H3/b10-9-
InChIKeyDQFHLXDDGFKBFI-KTKRTIGZSA-N
MW229.37 g/mol
LogP4.79
Rot. Bonds4

About 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine

3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine (PubChem CID 170285404) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine
PubChem CID170285404
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine
SMILESCCC(C)C(/C=C\c1ncccc1C)=C(C)C
InChIInChI=1S/C16H23N/c1-6-13(4)15(12(2)3)9-10-16-14(5)8-7-11-17-16/h7-11,13H,6H2,1-5H3/b10-9-
InChIKeyDQFHLXDDGFKBFI-KTKRTIGZSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine?
The IUPAC name of 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine (CID 170285404) is 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine.
What is the SMILES notation for 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine?
The canonical SMILES for 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine is CCC(C)C(/C=C\c1ncccc1C)=C(C)C.
What is the InChIKey of 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine?
The InChIKey is DQFHLXDDGFKBFI-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H23N/c1-6-13(4)15(12(2)3)9-10-16-14(5)8-7-11-17-16/h7-11,13H,6H2,1-5H3/b10-9-.
What are the key properties of 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine?
3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine has a molecular weight of 229.37 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(Z)-4-methyl-3-propan-2-ylidenehex-1-enyl]pyridine is sourced from PubChem (CID 170285404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).