N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide

C12H24N2 — CID 166889961

IUPACN'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide
SMILESC=C(N/C(C)=N/C)C(CCC)C(C)C
InChIInChI=1S/C12H24N2/c1-7-8-12(9(2)3)10(4)14-11(5)13-6/h9,12H,4,7-8H2,1-3,5-6H3,(H,13,14)
InChIKeyDAZHCCUYAGVFAM-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.21
Rot. Bonds5

About N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide

N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide (PubChem CID 166889961) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide
PubChem CID166889961
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide
SMILESC=C(N/C(C)=N/C)C(CCC)C(C)C
InChIInChI=1S/C12H24N2/c1-7-8-12(9(2)3)10(4)14-11(5)13-6/h9,12H,4,7-8H2,1-3,5-6H3,(H,13,14)
InChIKeyDAZHCCUYAGVFAM-UHFFFAOYSA-N
XLogP3.21
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide 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'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide?
The IUPAC name of N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide (CID 166889961) is N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide.
What is the SMILES notation for N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide?
The canonical SMILES for N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide is C=C(N/C(C)=N/C)C(CCC)C(C)C.
What is the InChIKey of N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide?
The InChIKey is DAZHCCUYAGVFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-8-12(9(2)3)10(4)14-11(5)13-6/h9,12H,4,7-8H2,1-3,5-6H3,(H,13,14).
What are the key properties of N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide?
N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-propan-2-ylhex-1-en-2-yl)ethanimidamide is sourced from PubChem (CID 166889961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).