(2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol

C22H32N2O — CID 166876744

IUPAC(2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol
SMILESC=CC(=C/CO)/C(=C\NC)CC/C(=C/C=C\C)C(=C)C(=C)/C=C\NC
InChIInChI=1S/C22H32N2O/c1-7-9-10-21(19(4)18(3)13-15-23-5)11-12-22(17-24-6)20(8-2)14-16-25/h7-10,13-15,17,23-25H,2-4,11-12,16H2,1,5-6H3/b9-7-,15-13-,20-14-,21-10-,22-17-
InChIKeyLKAPEZRFMLQERR-VEGQYCGBSA-N
MW340.51 g/mol
LogP4.32
Rot. Bonds12

About (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol

(2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol (PubChem CID 166876744) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol.

Molecular Properties

Compound Name(2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol
PubChem CID166876744
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name(2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol
SMILESC=CC(=C/CO)/C(=C\NC)CC/C(=C/C=C\C)C(=C)C(=C)/C=C\NC
InChIInChI=1S/C22H32N2O/c1-7-9-10-21(19(4)18(3)13-15-23-5)11-12-22(17-24-6)20(8-2)14-16-25/h7-10,13-15,17,23-25H,2-4,11-12,16H2,1,5-6H3/b9-7-,15-13-,20-14-,21-10-,22-17-
InChIKeyLKAPEZRFMLQERR-VEGQYCGBSA-N
XLogP4.32
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.32
H-Bond Donors ≤ 53
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 (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol?
The IUPAC name of (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol (CID 166876744) is (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol.
What is the SMILES notation for (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol?
The canonical SMILES for (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol is C=CC(=C/CO)/C(=C\NC)CC/C(=C/C=C\C)C(=C)C(=C)/C=C\NC.
What is the InChIKey of (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol?
The InChIKey is LKAPEZRFMLQERR-VEGQYCGBSA-N. The full InChI is InChI=1S/C22H32N2O/c1-7-9-10-21(19(4)18(3)13-15-23-5)11-12-22(17-24-6)20(8-2)14-16-25/h7-10,13-15,17,23-25H,2-4,11-12,16H2,1,5-6H3/b9-7-,15-13-,20-14-,21-10-,22-17-.
What are the key properties of (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol?
(2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol has a molecular weight of 340.51 g/mol, XLogP of 4.32, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,7Z,9Z)-3-ethenyl-4-(methylaminomethylidene)-7-[(4Z)-5-(methylamino)-3-methylidenepenta-1,4-dien-2-yl]undeca-2,7,9-trien-1-ol is sourced from PubChem (CID 166876744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).