(2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine

C26H41N — CID 129060052

IUPAC(2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine
SMILESC=C/C=C\C=C(/C)CN/C(=C\C)C(C)C(C)(C=CC)C(C)/C=C\C=C(C)C
InChIInChI=1S/C26H41N/c1-10-13-14-17-22(6)20-27-25(12-3)24(8)26(9,19-11-2)23(7)18-15-16-21(4)5/h10-19,23-24,27H,1,20H2,2-9H3/b14-13-,18-15-,19-11?,22-17+,25-12-
InChIKeyLHSUXUZHQBPVPX-WFCHVFLJSA-N
MW367.62 g/mol
LogP7.55
Rot. Bonds11

About (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine

(2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine (PubChem CID 129060052) has the molecular formula C26H41N and a molecular weight of 367.62 g/mol. Its IUPAC name is (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine.

Molecular Properties

Compound Name(2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine
PubChem CID129060052
Molecular FormulaC26H41N
Molecular Weight367.62 g/mol
Exact Mass367.32
IUPAC Name(2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine
SMILESC=C/C=C\C=C(/C)CN/C(=C\C)C(C)C(C)(C=CC)C(C)/C=C\C=C(C)C
InChIInChI=1S/C26H41N/c1-10-13-14-17-22(6)20-27-25(12-3)24(8)26(9,19-11-2)23(7)18-15-16-21(4)5/h10-19,23-24,27H,1,20H2,2-9H3/b14-13-,18-15-,19-11?,22-17+,25-12-
InChIKeyLHSUXUZHQBPVPX-WFCHVFLJSA-N
XLogP7.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine?
The IUPAC name of (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine (CID 129060052) is (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine.
What is the SMILES notation for (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine?
The canonical SMILES for (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine is C=C/C=C\C=C(/C)CN/C(=C\C)C(C)C(C)(C=CC)C(C)/C=C\C=C(C)C.
What is the InChIKey of (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine?
The InChIKey is LHSUXUZHQBPVPX-WFCHVFLJSA-N. The full InChI is InChI=1S/C26H41N/c1-10-13-14-17-22(6)20-27-25(12-3)24(8)26(9,19-11-2)23(7)18-15-16-21(4)5/h10-19,23-24,27H,1,20H2,2-9H3/b14-13-,18-15-,19-11?,22-17+,25-12-.
What are the key properties of (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine?
(2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine has a molecular weight of 367.62 g/mol, XLogP of 7.55, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7Z)-4,5,6,10-tetramethyl-N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]-5-prop-1-enylundeca-2,7,9-trien-3-amine is sourced from PubChem (CID 129060052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).