4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine

C12H19N — CID 142890007

IUPAC4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine
SMILESC/C=C\C(C)=C/C1=CC(C)CCN1
InChIInChI=1S/C12H19N/c1-4-5-10(2)8-12-9-11(3)6-7-13-12/h4-5,8-9,11,13H,6-7H2,1-3H3/b5-4-,10-8-
InChIKeyVYLLPJSDADHTNE-BXPWTJTASA-N
MW177.29 g/mol
LogP3.02
Rot. Bonds2

About 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine

4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine (PubChem CID 142890007) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine
PubChem CID142890007
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine
SMILESC/C=C\C(C)=C/C1=CC(C)CCN1
InChIInChI=1S/C12H19N/c1-4-5-10(2)8-12-9-11(3)6-7-13-12/h4-5,8-9,11,13H,6-7H2,1-3H3/b5-4-,10-8-
InChIKeyVYLLPJSDADHTNE-BXPWTJTASA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
benzene;ethane;(2Z,4Z)-4-methylhepta-2,4-diene
CID 144597093
1-(2,4,6,6-tetramethylcyclohex-2-en-1-yl)but-2-en-1-one
CID 70588063
(4Z,6E)-3,5-dimethylocta-2,4,6-triene
CID 144536479
3-methylcyclopentene-1-carboxylic acid
CID 12779737
1-(3,5,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
CID 71327435
2-(6-but-2-enyl-2,5-dimethylcyclohex-3-en-1-yl)acetic acid
CID 67765219
1-[(2Z,4Z)-hexa-2,4-dien-3-yl]-3-methyl-5-phenylcyclohexa-1,3-diene
CID 145129881
(Z)-ethylidene-hydroxy-[(1Z,3E)-2-methylpenta-1,3-dienyl]azanium
CID 59886712
2-[[(5Z,7Z)-9-methyl-4,9-dihydro-1H-1,3-diazonin-2-yl]sulfanyl]-N-[(1Z,3E)-2-methylpenta-1,3-dienyl]ethanimine
CID 143566331
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine?
The IUPAC name of 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine (CID 142890007) is 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine is C/C=C\C(C)=C/C1=CC(C)CCN1.
What is the InChIKey of 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine?
The InChIKey is VYLLPJSDADHTNE-BXPWTJTASA-N. The full InChI is InChI=1S/C12H19N/c1-4-5-10(2)8-12-9-11(3)6-7-13-12/h4-5,8-9,11,13H,6-7H2,1-3H3/b5-4-,10-8-.
What are the key properties of 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine?
4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 142890007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).