(2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine

C20H37N — CID 155376721

IUPAC(2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine
SMILESC/C=C\C=C(/C=N/C)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H37N/c1-5-8-11-13-16-19(17-14-12-9-6-2)20(18-21-4)15-10-7-3/h7,10,15,18-19H,5-6,8-9,11-14,16-17H2,1-4H3/b10-7-,20-15+,21-18+
InChIKeyGVWLARQCJIPTST-LONKEQGBSA-N
MW291.52 g/mol
LogP6.75
Rot. Bonds13

About (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine

(2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine (PubChem CID 155376721) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine.

Molecular Properties

Compound Name(2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine
PubChem CID155376721
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine
SMILESC/C=C\C=C(/C=N/C)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H37N/c1-5-8-11-13-16-19(17-14-12-9-6-2)20(18-21-4)15-10-7-3/h7,10,15,18-19H,5-6,8-9,11-14,16-17H2,1-4H3/b10-7-,20-15+,21-18+
InChIKeyGVWLARQCJIPTST-LONKEQGBSA-N
XLogP6.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine?
The IUPAC name of (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine (CID 155376721) is (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine.
What is the SMILES notation for (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine?
The canonical SMILES for (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine is C/C=C\C=C(/C=N/C)C(CCCCCC)CCCCCC.
What is the InChIKey of (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine?
The InChIKey is GVWLARQCJIPTST-LONKEQGBSA-N. The full InChI is InChI=1S/C20H37N/c1-5-8-11-13-16-19(17-14-12-9-6-2)20(18-21-4)15-10-7-3/h7,10,15,18-19H,5-6,8-9,11-14,16-17H2,1-4H3/b10-7-,20-15+,21-18+.
What are the key properties of (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine?
(2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine has a molecular weight of 291.52 g/mol, XLogP of 6.75, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-but-2-enylidene]-3-hexyl-N-methylnonan-1-imine is sourced from PubChem (CID 155376721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).