7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine

C21H39N — CID 123545516

IUPAC7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine
SMILESCC=C(C=C/C=N/C)CC(C(CC)CCC)C(CC)CCC
InChIInChI=1S/C21H39N/c1-7-13-19(10-4)21(20(11-5)14-8-2)17-18(9-3)15-12-16-22-6/h9,12,15-16,19-21H,7-8,10-11,13-14,17H2,1-6H3/b15-12?,18-9?,22-16+
InChIKeyUMXWFXHNLISRNG-OLWFZZQOSA-N
MW305.55 g/mol
LogP6.85
Rot. Bonds12

About 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine

7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine (PubChem CID 123545516) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine.

Molecular Properties

Compound Name7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine
PubChem CID123545516
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine
SMILESCC=C(C=C/C=N/C)CC(C(CC)CCC)C(CC)CCC
InChIInChI=1S/C21H39N/c1-7-13-19(10-4)21(20(11-5)14-8-2)17-18(9-3)15-12-16-22-6/h9,12,15-16,19-21H,7-8,10-11,13-14,17H2,1-6H3/b15-12?,18-9?,22-16+
InChIKeyUMXWFXHNLISRNG-OLWFZZQOSA-N
XLogP6.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine?
The IUPAC name of 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine (CID 123545516) is 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine.
What is the SMILES notation for 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine?
The canonical SMILES for 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine is CC=C(C=C/C=N/C)CC(C(CC)CCC)C(CC)CCC.
What is the InChIKey of 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine?
The InChIKey is UMXWFXHNLISRNG-OLWFZZQOSA-N. The full InChI is InChI=1S/C21H39N/c1-7-13-19(10-4)21(20(11-5)14-8-2)17-18(9-3)15-12-16-22-6/h9,12,15-16,19-21H,7-8,10-11,13-14,17H2,1-6H3/b15-12?,18-9?,22-16+.
What are the key properties of 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine?
7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine has a molecular weight of 305.55 g/mol, XLogP of 6.85, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-ethylidene-6-hexan-3-yl-N-methyldec-2-en-1-imine is sourced from PubChem (CID 123545516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).