5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine

C32H51N3 — CID 153383053

IUPAC5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)N(C)C1CC(C)(C)NC(C)(C)C1.C=C/C(C)=C(C)\C=C(/C)C1=CN(C=C(C)C)C(=C)C=C1
InChIInChI=1S/C19H25N.C13H26N2/c1-8-15(4)16(5)11-17(6)19-10-9-18(7)20(13-19)12-14(2)3;1-10(2)15(7)11-8-12(3,4)14-13(5,6)9-11/h8-13H,1,7H2,2-6H3;11,14H,1,8-9H2,2-7H3/b16-15-,17-11+;
InChIKeyCXEVMBWHYRQARI-FMEKNHNGSA-N
MW477.78 g/mol
LogP8.41
Rot. Bonds6

About 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine

5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine (PubChem CID 153383053) has the molecular formula C32H51N3 and a molecular weight of 477.78 g/mol. Its IUPAC name is 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine
PubChem CID153383053
Molecular FormulaC32H51N3
Molecular Weight477.78 g/mol
Exact Mass477.41
IUPAC Name5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)N(C)C1CC(C)(C)NC(C)(C)C1.C=C/C(C)=C(C)\C=C(/C)C1=CN(C=C(C)C)C(=C)C=C1
InChIInChI=1S/C19H25N.C13H26N2/c1-8-15(4)16(5)11-17(6)19-10-9-18(7)20(13-19)12-14(2)3;1-10(2)15(7)11-8-12(3,4)14-13(5,6)9-11/h8-13H,1,7H2,2-6H3;11,14H,1,8-9H2,2-7H3/b16-15-,17-11+;
InChIKeyCXEVMBWHYRQARI-FMEKNHNGSA-N
XLogP8.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.78
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine?
The IUPAC name of 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine (CID 153383053) is 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine.
What is the SMILES notation for 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine?
The canonical SMILES for 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine is C=C(C)N(C)C1CC(C)(C)NC(C)(C)C1.C=C/C(C)=C(C)\C=C(/C)C1=CN(C=C(C)C)C(=C)C=C1.
What is the InChIKey of 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine?
The InChIKey is CXEVMBWHYRQARI-FMEKNHNGSA-N. The full InChI is InChI=1S/C19H25N.C13H26N2/c1-8-15(4)16(5)11-17(6)19-10-9-18(7)20(13-19)12-14(2)3;1-10(2)15(7)11-8-12(3,4)14-13(5,6)9-11/h8-13H,1,7H2,2-6H3;11,14H,1,8-9H2,2-7H3/b16-15-,17-11+;.
What are the key properties of 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine?
5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine has a molecular weight of 477.78 g/mol, XLogP of 8.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,4Z)-4,5-dimethylhepta-2,4,6-trien-2-yl]-2-methylidene-1-(2-methylprop-1-enyl)pyridine;N,2,2,6,6-pentamethyl-N-prop-1-en-2-ylpiperidin-4-amine is sourced from PubChem (CID 153383053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).