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

C18H28N2O — CID 123709616

IUPAC(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide
SMILES[H]/N=C/C(/C=C(\C)C(=C)/C=C(C)\C=C/CC)C(=O)NCCC
InChIInChI=1S/C18H28N2O/c1-6-8-9-14(3)11-15(4)16(5)12-17(13-19)18(21)20-10-7-2/h8-9,11-13,17,19H,4,6-7,10H2,1-3,5H3,(H,20,21)/b9-8-,14-11-,16-12+,19-13+
InChIKeyNAUCADFFWIAOOM-UCECPRMXSA-N
MW288.44 g/mol
LogP4.19
Rot. Bonds9

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

(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide (PubChem CID 123709616) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide.

Molecular Properties

Compound Name(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide
PubChem CID123709616
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide
SMILES[H]/N=C/C(/C=C(\C)C(=C)/C=C(C)\C=C/CC)C(=O)NCCC
InChIInChI=1S/C18H28N2O/c1-6-8-9-14(3)11-15(4)16(5)12-17(13-19)18(21)20-10-7-2/h8-9,11-13,17,19H,4,6-7,10H2,1-3,5H3,(H,20,21)/b9-8-,14-11-,16-12+,19-13+
InChIKeyNAUCADFFWIAOOM-UCECPRMXSA-N
XLogP4.19
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.19
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-propylundeca-3,6,8-trienamide?
The IUPAC name of (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide (CID 123709616) is (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide.
What is the SMILES notation for (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide?
The canonical SMILES for (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide is [H]/N=C/C(/C=C(\C)C(=C)/C=C(C)\C=C/CC)C(=O)NCCC.
What is the InChIKey of (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide?
The InChIKey is NAUCADFFWIAOOM-UCECPRMXSA-N. The full InChI is InChI=1S/C18H28N2O/c1-6-8-9-14(3)11-15(4)16(5)12-17(13-19)18(21)20-10-7-2/h8-9,11-13,17,19H,4,6-7,10H2,1-3,5H3,(H,20,21)/b9-8-,14-11-,16-12+,19-13+.
What are the key properties of (3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide?
(3E,6Z,8Z)-2-methanimidoyl-4,7-dimethyl-5-methylidene-N-propylundeca-3,6,8-trienamide has a molecular weight of 288.44 g/mol, XLogP of 4.19, 9 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-propylundeca-3,6,8-trienamide is sourced from PubChem (CID 123709616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).