(E)-5-ethyl-6-methylundec-6-en-4-imine

C14H27N — CID 89117109

IUPAC(E)-5-ethyl-6-methylundec-6-en-4-imine
SMILES[H]/N=C(\CCC)C(CC)/C(C)=C/CCCC
InChIInChI=1S/C14H27N/c1-5-8-9-11-12(4)13(7-3)14(15)10-6-2/h11,13,15H,5-10H2,1-4H3/b12-11+,15-14+
InChIKeyUZQUTSDCHHUBCR-TVYVBBRWSA-N
MW209.38 g/mol
LogP4.97
Rot. Bonds8

About (E)-5-ethyl-6-methylundec-6-en-4-imine

(E)-5-ethyl-6-methylundec-6-en-4-imine (PubChem CID 89117109) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (E)-5-ethyl-6-methylundec-6-en-4-imine.

Molecular Properties

Compound Name(E)-5-ethyl-6-methylundec-6-en-4-imine
PubChem CID89117109
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(E)-5-ethyl-6-methylundec-6-en-4-imine
SMILES[H]/N=C(\CCC)C(CC)/C(C)=C/CCCC
InChIInChI=1S/C14H27N/c1-5-8-9-11-12(4)13(7-3)14(15)10-6-2/h11,13,15H,5-10H2,1-4H3/b12-11+,15-14+
InChIKeyUZQUTSDCHHUBCR-TVYVBBRWSA-N
XLogP4.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-5-ethyl-6-methylundec-6-en-4-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 (E)-5-ethyl-6-methylundec-6-en-4-imine?
The IUPAC name of (E)-5-ethyl-6-methylundec-6-en-4-imine (CID 89117109) is (E)-5-ethyl-6-methylundec-6-en-4-imine.
What is the SMILES notation for (E)-5-ethyl-6-methylundec-6-en-4-imine?
The canonical SMILES for (E)-5-ethyl-6-methylundec-6-en-4-imine is [H]/N=C(\CCC)C(CC)/C(C)=C/CCCC.
What is the InChIKey of (E)-5-ethyl-6-methylundec-6-en-4-imine?
The InChIKey is UZQUTSDCHHUBCR-TVYVBBRWSA-N. The full InChI is InChI=1S/C14H27N/c1-5-8-9-11-12(4)13(7-3)14(15)10-6-2/h11,13,15H,5-10H2,1-4H3/b12-11+,15-14+.
What are the key properties of (E)-5-ethyl-6-methylundec-6-en-4-imine?
(E)-5-ethyl-6-methylundec-6-en-4-imine has a molecular weight of 209.38 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethyl-6-methylundec-6-en-4-imine is sourced from PubChem (CID 89117109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).