(E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine

C24H40N2 — CID 123416111

IUPAC(E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine
SMILESC=N/N=C/C(CCCCC)=C(C)/C(/C=C(/C)C(C)CC(C)C)=C/C(=C)C
InChIInChI=1S/C24H40N2/c1-10-11-12-13-23(17-26-25-9)22(8)24(15-19(4)5)16-21(7)20(6)14-18(2)3/h15-18,20H,4,9-14H2,1-3,5-8H3/b21-16-,23-22+,24-15+,26-17+
InChIKeyRUDCRKRQVOOLSB-MBOMNVNDSA-N
MW356.60 g/mol
LogP7.70
Rot. Bonds12

About (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine

(E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine (PubChem CID 123416111) has the molecular formula C24H40N2 and a molecular weight of 356.60 g/mol. Its IUPAC name is (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine.

Molecular Properties

Compound Name(E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine
PubChem CID123416111
Molecular FormulaC24H40N2
Molecular Weight356.60 g/mol
Exact Mass356.32
IUPAC Name(E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine
SMILESC=N/N=C/C(CCCCC)=C(C)/C(/C=C(/C)C(C)CC(C)C)=C/C(=C)C
InChIInChI=1S/C24H40N2/c1-10-11-12-13-23(17-26-25-9)22(8)24(15-19(4)5)16-21(7)20(6)14-18(2)3/h15-18,20H,4,9-14H2,1-3,5-8H3/b21-16-,23-22+,24-15+,26-17+
InChIKeyRUDCRKRQVOOLSB-MBOMNVNDSA-N
XLogP7.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.60
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine?
The IUPAC name of (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine (CID 123416111) is (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine.
What is the SMILES notation for (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine?
The canonical SMILES for (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine is C=N/N=C/C(CCCCC)=C(C)/C(/C=C(/C)C(C)CC(C)C)=C/C(=C)C.
What is the InChIKey of (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine?
The InChIKey is RUDCRKRQVOOLSB-MBOMNVNDSA-N. The full InChI is InChI=1S/C24H40N2/c1-10-11-12-13-23(17-26-25-9)22(8)24(15-19(4)5)16-21(7)20(6)14-18(2)3/h15-18,20H,4,9-14H2,1-3,5-8H3/b21-16-,23-22+,24-15+,26-17+.
What are the key properties of (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine?
(E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine has a molecular weight of 356.60 g/mol, XLogP of 7.70, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E,4E,5Z)-3,6,7,9-tetramethyl-N-(methylideneamino)-4-(2-methylprop-2-enylidene)-2-pentyldeca-2,5-dien-1-imine is sourced from PubChem (CID 123416111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).