N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine

C20H37N — CID 130346396

IUPACN-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine
SMILESC=N/C=C\C(=C/C)C(C)(CCCCCC)CCCCCC
InChIInChI=1S/C20H37N/c1-6-9-11-13-16-20(4,17-14-12-10-7-2)19(8-3)15-18-21-5/h8,15,18H,5-7,9-14,16-17H2,1-4H3/b18-15-,19-8+
InChIKeyWBHBMGFVGAINNP-HPDKGKPWSA-N
MW291.52 g/mol
LogP7.09
Rot. Bonds13

About N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine

N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine (PubChem CID 130346396) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine
PubChem CID130346396
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC NameN-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine
SMILESC=N/C=C\C(=C/C)C(C)(CCCCCC)CCCCCC
InChIInChI=1S/C20H37N/c1-6-9-11-13-16-20(4,17-14-12-10-7-2)19(8-3)15-18-21-5/h8,15,18H,5-7,9-14,16-17H2,1-4H3/b18-15-,19-8+
InChIKeyWBHBMGFVGAINNP-HPDKGKPWSA-N
XLogP7.09
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 ≤ 57.09
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 N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine?
The IUPAC name of N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine (CID 130346396) is N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine is C=N/C=C\C(=C/C)C(C)(CCCCCC)CCCCCC.
What is the InChIKey of N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine?
The InChIKey is WBHBMGFVGAINNP-HPDKGKPWSA-N. The full InChI is InChI=1S/C20H37N/c1-6-9-11-13-16-20(4,17-14-12-10-7-2)19(8-3)15-18-21-5/h8,15,18H,5-7,9-14,16-17H2,1-4H3/b18-15-,19-8+.
What are the key properties of N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine?
N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine has a molecular weight of 291.52 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3E)-3-ethylidene-4-hexyl-4-methyldec-1-enyl]methanimine is sourced from PubChem (CID 130346396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).