5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine

C18H26N2 — CID 130336838

IUPAC5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine
SMILESC=C(/C=C(C)\C(C)=C/C)C(=C)C1=C(NC)NCC(C)=C1
InChIInChI=1S/C18H26N2/c1-8-13(3)14(4)10-15(5)16(6)17-9-12(2)11-20-18(17)19-7/h8-10,19-20H,5-6,11H2,1-4,7H3/b13-8-,14-10-
InChIKeySCAMLWFHIRHVEB-GSPAGQKZSA-N
MW270.42 g/mol
LogP3.99
Rot. Bonds5

About 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine

5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine (PubChem CID 130336838) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine
PubChem CID130336838
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine
SMILESC=C(/C=C(C)\C(C)=C/C)C(=C)C1=C(NC)NCC(C)=C1
InChIInChI=1S/C18H26N2/c1-8-13(3)14(4)10-15(5)16(6)17-9-12(2)11-20-18(17)19-7/h8-10,19-20H,5-6,11H2,1-4,7H3/b13-8-,14-10-
InChIKeySCAMLWFHIRHVEB-GSPAGQKZSA-N
XLogP3.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine?
The IUPAC name of 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine (CID 130336838) is 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine?
The canonical SMILES for 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine is C=C(/C=C(C)\C(C)=C/C)C(=C)C1=C(NC)NCC(C)=C1.
What is the InChIKey of 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine?
The InChIKey is SCAMLWFHIRHVEB-GSPAGQKZSA-N. The full InChI is InChI=1S/C18H26N2/c1-8-13(3)14(4)10-15(5)16(6)17-9-12(2)11-20-18(17)19-7/h8-10,19-20H,5-6,11H2,1-4,7H3/b13-8-,14-10-.
What are the key properties of 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine?
5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine has a molecular weight of 270.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4Z,6Z)-5,6-dimethyl-3-methylideneocta-1,4,6-trien-2-yl]-N,3-dimethyl-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 130336838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).