(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide

C19H30N2O — CID 123635276

IUPAC(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide
SMILES[H]/N=C/C(/C=C(\C)C(=C)/C=C(C)/C=C\CCC)C(=O)NCCC
InChIInChI=1S/C19H30N2O/c1-6-8-9-10-15(3)12-16(4)17(5)13-18(14-20)19(22)21-11-7-2/h9-10,12-14,18,20H,4,6-8,11H2,1-3,5H3,(H,21,22)/b10-9-,15-12-,17-13+,20-14+
InChIKeyWDMHNPOGSPHBBH-PGLNVCDTSA-N
MW302.46 g/mol
LogP4.58
Rot. Bonds10

About (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide

(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide (PubChem CID 123635276) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide.

Molecular Properties

Compound Name(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide
PubChem CID123635276
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide
SMILES[H]/N=C/C(/C=C(\C)C(=C)/C=C(C)/C=C\CCC)C(=O)NCCC
InChIInChI=1S/C19H30N2O/c1-6-8-9-10-15(3)12-16(4)17(5)13-18(14-20)19(22)21-11-7-2/h9-10,12-14,18,20H,4,6-8,11H2,1-3,5H3,(H,21,22)/b10-9-,15-12-,17-13+,20-14+
InChIKeyWDMHNPOGSPHBBH-PGLNVCDTSA-N
XLogP4.58
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide?
The IUPAC name of (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide (CID 123635276) is (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide.
What is the SMILES notation for (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide?
The canonical SMILES for (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide is [H]/N=C/C(/C=C(\C)C(=C)/C=C(C)/C=C\CCC)C(=O)NCCC.
What is the InChIKey of (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide?
The InChIKey is WDMHNPOGSPHBBH-PGLNVCDTSA-N. The full InChI is InChI=1S/C19H30N2O/c1-6-8-9-10-15(3)12-16(4)17(5)13-18(14-20)19(22)21-11-7-2/h9-10,12-14,18,20H,4,6-8,11H2,1-3,5H3,(H,21,22)/b10-9-,15-12-,17-13+,20-14+.
What are the key properties of (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide?
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide has a molecular weight of 302.46 g/mol, XLogP of 4.58, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propyldodeca-3,6,8-trienamide is sourced from PubChem (CID 123635276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).