N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide

C13H24N2 — CID 130180486

IUPACN-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide
SMILESC=CN(C)/C(C)=N/C(=CCCCC)CC
InChIInChI=1S/C13H24N2/c1-6-9-10-11-13(7-2)14-12(4)15(5)8-3/h8,11H,3,6-7,9-10H2,1-2,4-5H3/b13-11?,14-12+
InChIKeySMKMOGDKNPOICS-KTQJNQCGSA-N
MW208.35 g/mol
LogP3.96
Rot. Bonds6

About N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide

N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide (PubChem CID 130180486) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide
PubChem CID130180486
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide
SMILESC=CN(C)/C(C)=N/C(=CCCCC)CC
InChIInChI=1S/C13H24N2/c1-6-9-10-11-13(7-2)14-12(4)15(5)8-3/h8,11H,3,6-7,9-10H2,1-2,4-5H3/b13-11?,14-12+
InChIKeySMKMOGDKNPOICS-KTQJNQCGSA-N
XLogP3.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.96
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': 'imine_2', 'substructure': 'N/A'}

Analyze N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide 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 N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide?
The IUPAC name of N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide (CID 130180486) is N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide.
What is the SMILES notation for N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide?
The canonical SMILES for N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide is C=CN(C)/C(C)=N/C(=CCCCC)CC.
What is the InChIKey of N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide?
The InChIKey is SMKMOGDKNPOICS-KTQJNQCGSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-9-10-11-13(7-2)14-12(4)15(5)8-3/h8,11H,3,6-7,9-10H2,1-2,4-5H3/b13-11?,14-12+.
What are the key properties of N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide?
N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methyl-N'-oct-3-en-3-ylethanimidamide is sourced from PubChem (CID 130180486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).