N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine

C15H24N2 — CID 123145781

IUPACN-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine
SMILESC=CC=C(C)N1CCC=C(N(C)CCC)C1=C
InChIInChI=1S/C15H24N2/c1-6-9-13(3)17-12-8-10-15(14(17)4)16(5)11-7-2/h6,9-10H,1,4,7-8,11-12H2,2-3,5H3
InChIKeyOAATXTHXEQLACR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.52
Rot. Bonds5

About N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine

N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine (PubChem CID 123145781) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine
PubChem CID123145781
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine
SMILESC=CC=C(C)N1CCC=C(N(C)CCC)C1=C
InChIInChI=1S/C15H24N2/c1-6-9-13(3)17-12-8-10-15(14(17)4)16(5)11-7-2/h6,9-10H,1,4,7-8,11-12H2,2-3,5H3
InChIKeyOAATXTHXEQLACR-UHFFFAOYSA-N
XLogP3.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-dimethylamino-1,2,5,6-tetrahydropyridine
CID 12664027
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
N-methyl-2,6-lutidine
CID 68311864
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
CID 142099569
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
1-(6-Fluorocyclohepta-1,3,5-trien-1-yl)-4-methylpiperazine
CID 142226978
N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
CID 143566790
1-[1-(2-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)ethenyl]-4-methylpiperazine
CID 170343762
1-butyl-4-[(3E,6Z)-7-fluorohepta-1,3,6-trien-3-yl]piperazine
CID 173942774
1-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)piperazine
CID 3715231
1-(Cyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 15665733
1,4-Dimethyl-tetrahydroquinoxaline
CID 129781915

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine?
The IUPAC name of N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine (CID 123145781) is N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine.
What is the SMILES notation for N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine?
The canonical SMILES for N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine is C=CC=C(C)N1CCC=C(N(C)CCC)C1=C.
What is the InChIKey of N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine?
The InChIKey is OAATXTHXEQLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-6-9-13(3)17-12-8-10-15(14(17)4)16(5)11-7-2/h6,9-10H,1,4,7-8,11-12H2,2-3,5H3.
What are the key properties of N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine?
N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine has a molecular weight of 232.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine is sourced from PubChem (CID 123145781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).