6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine

C12H19N — CID 164553852

IUPAC6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine
SMILESCC(C)=C/C=C\C1=C(C)NCCC1
InChIInChI=1S/C12H19N/c1-10(2)6-4-7-12-8-5-9-13-11(12)3/h4,6-7,13H,5,8-9H2,1-3H3/b7-4-
InChIKeyZDXBDFJIBFDAQF-DAXSKMNVSA-N
MW177.29 g/mol
LogP3.17
Rot. Bonds2

About 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine

6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine (PubChem CID 164553852) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine
PubChem CID164553852
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine
SMILESCC(C)=C/C=C\C1=C(C)NCCC1
InChIInChI=1S/C12H19N/c1-10(2)6-4-7-12-8-5-9-13-11(12)3/h4,6-7,13H,5,8-9H2,1-3H3/b7-4-
InChIKeyZDXBDFJIBFDAQF-DAXSKMNVSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine 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

6-methyl-5-[(Z)-3-methylideneoct-1-enyl]-1,2,3,4-tetrahydropyridine;molecular hydrogen
CID 176954534
6-[(1E)-2-chlorobuta-1,3-dienyl]-7-methyl-2,3,4,5-tetrahydro-1H-azepine
CID 143188889
4,5-dimethyl-2,3-dihydro-1H-pyrrole;5,6-dimethyl-1,2,3,4-tetrahydropyridine
CID 143216266
(4E)-2,7-dimethylocta-2,4,6-triene
CID 11116127
5,6-dimethyl-1,2,3,4-tetrahydropyrazine
CID 55287033
(1Z)-1-pyrrolidin-2-ylidenepropan-2-one
CID 11815355
(1Z)-1,2-dimethyl-3,4,5,6-tetrahydro-3-benzazocine
CID 118586766
4-methylpenta-1,3-dienylbenzene
CID 3614395
2-methylprop-1-ene;pyrrolidin-2-one
CID 174928634
6-ethenyl-5-prop-1-en-2-yl-1,2,3,4-tetrahydropyridine
CID 153340913
1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16,20-pentamethylhenicosa-1,3,5,7,9,11,13,15,17,19-decaenyl]cyclohexene
CID 100983894
(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-methylcarbamic acid
CID 163604347

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine (CID 164553852) is 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine is CC(C)=C/C=C\C1=C(C)NCCC1.
What is the InChIKey of 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine?
The InChIKey is ZDXBDFJIBFDAQF-DAXSKMNVSA-N. The full InChI is InChI=1S/C12H19N/c1-10(2)6-4-7-12-8-5-9-13-11(12)3/h4,6-7,13H,5,8-9H2,1-3H3/b7-4-.
What are the key properties of 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine?
6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine has a molecular weight of 177.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(1Z)-4-methylpenta-1,3-dienyl]-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 164553852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).