4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine

C14H21N — CID 144774515

IUPAC4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine
SMILESC=C/C(=C\C=C(C)C)N1C=CC(C)CC1
InChIInChI=1S/C14H21N/c1-5-14(7-6-12(2)3)15-10-8-13(4)9-11-15/h5-8,10,13H,1,9,11H2,2-4H3/b14-7+
InChIKeyUWYIXBHFHGWFAG-VGOFMYFVSA-N
MW203.33 g/mol
LogP3.88
Rot. Bonds3

About 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine

4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine (PubChem CID 144774515) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine
PubChem CID144774515
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine
SMILESC=C/C(=C\C=C(C)C)N1C=CC(C)CC1
InChIInChI=1S/C14H21N/c1-5-14(7-6-12(2)3)15-10-8-13(4)9-11-15/h5-8,10,13H,1,9,11H2,2-4H3/b14-7+
InChIKeyUWYIXBHFHGWFAG-VGOFMYFVSA-N
XLogP3.88
TPSA3.24 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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine 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

1-iodo-4-methyl-3,4-dihydro-2H-pyridine
CID 155135892
CID 153370971
CID 153370971
2-methyl-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 144607271
4-methyl-1-phenyl-3,4-dihydro-2H-pyridine
CID 123659358
N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide
CID 143241309
4-propan-2-yl-1-[(3E,5Z)-6-propan-2-ylocta-1,3,5,7-tetraen-3-yl]piperidine
CID 166981367
3-methyl-6-(6-methylhepta-1,5-dien-2-yl)cyclohexene
CID 527420
(3E)-6-methylhepta-1,3,5-triene-3-thiol
CID 118400395
(1S,3S,4S,6R)-4,6-dimethyl-5-(3-methylbut-2-enylidene)cyclohexane-1,3-diol;(1R,3R,4S,6R)-4,6-dimethyl-5-(3-methylbut-2-enylidene)-2-methylidenecyclohexane-1,3-diol
CID 160936006
bicyclo[2.2.1]hept-2-ene;2-methylbuta-1,3-diene
CID 175010538
1-(3-hydroxy-4-methylpyrrolidin-1-yl)prop-2-en-1-one
CID 127008920
1-hexa-1,3,5-trien-3-yl-3-methylpiperazine
CID 123835356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine (CID 144774515) is 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine is C=C/C(=C\C=C(C)C)N1C=CC(C)CC1.
What is the InChIKey of 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine?
The InChIKey is UWYIXBHFHGWFAG-VGOFMYFVSA-N. The full InChI is InChI=1S/C14H21N/c1-5-14(7-6-12(2)3)15-10-8-13(4)9-11-15/h5-8,10,13H,1,9,11H2,2-4H3/b14-7+.
What are the key properties of 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine?
4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine has a molecular weight of 203.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 144774515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).