(4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine

C29H41N — CID 118616214

IUPAC(4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine
SMILESC=CCC(/C=C/C(C)/C=C\C)C(=C)/C=C\C(=C)C(C)NC(=C)C(/C=C\C)=C\C=C/C
InChIInChI=1S/C29H41N/c1-10-14-18-29(17-13-4)27(9)30-26(8)24(6)20-21-25(7)28(16-12-3)22-19-23(5)15-11-2/h10-15,17-23,26,28,30H,3,6-7,9,16H2,1-2,4-5,8H3/b14-10-,15-11-,17-13-,21-20-,22-19+,29-18-
InChIKeyMUZWYZXXUMEGIX-YSSIDRLZSA-N
MW403.65 g/mol
LogP8.19
Rot. Bonds14

About (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine

(4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine (PubChem CID 118616214) has the molecular formula C29H41N and a molecular weight of 403.65 g/mol. Its IUPAC name is (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine.

Molecular Properties

Compound Name(4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine
PubChem CID118616214
Molecular FormulaC29H41N
Molecular Weight403.65 g/mol
Exact Mass403.32
IUPAC Name(4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine
SMILESC=CCC(/C=C/C(C)/C=C\C)C(=C)/C=C\C(=C)C(C)NC(=C)C(/C=C\C)=C\C=C/C
InChIInChI=1S/C29H41N/c1-10-14-18-29(17-13-4)27(9)30-26(8)24(6)20-21-25(7)28(16-12-3)22-19-23(5)15-11-2/h10-15,17-23,26,28,30H,3,6-7,9,16H2,1-2,4-5,8H3/b14-10-,15-11-,17-13-,21-20-,22-19+,29-18-
InChIKeyMUZWYZXXUMEGIX-YSSIDRLZSA-N
XLogP8.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 58.19
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 (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine?
The IUPAC name of (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine (CID 118616214) is (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine.
What is the SMILES notation for (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine?
The canonical SMILES for (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine is C=CCC(/C=C/C(C)/C=C\C)C(=C)/C=C\C(=C)C(C)NC(=C)C(/C=C\C)=C\C=C/C.
What is the InChIKey of (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine?
The InChIKey is MUZWYZXXUMEGIX-YSSIDRLZSA-N. The full InChI is InChI=1S/C29H41N/c1-10-14-18-29(17-13-4)27(9)30-26(8)24(6)20-21-25(7)28(16-12-3)22-19-23(5)15-11-2/h10-15,17-23,26,28,30H,3,6-7,9,16H2,1-2,4-5,8H3/b14-10-,15-11-,17-13-,21-20-,22-19+,29-18-.
What are the key properties of (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine?
(4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine has a molecular weight of 403.65 g/mol, XLogP of 8.19, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E,11Z)-10-methyl-3,6-dimethylidene-7-prop-2-enyl-N-[(3Z,5Z)-3-[(Z)-prop-1-enyl]hepta-1,3,5-trien-2-yl]trideca-4,8,11-trien-2-amine is sourced from PubChem (CID 118616214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).