N'-(3,3-dimethylhexyl)ethanimidamide

C10H22N2 — CID 126538116

IUPACN'-(3,3-dimethylhexyl)ethanimidamide
SMILESCCCC(C)(C)CC/N=C(\C)N
InChIInChI=1S/C10H22N2/c1-5-6-10(3,4)7-8-12-9(2)11/h5-8H2,1-4H3,(H2,11,12)
InChIKeyCCRBICVUDXEYPG-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.58
Rot. Bonds5

About N'-(3,3-dimethylhexyl)ethanimidamide

N'-(3,3-dimethylhexyl)ethanimidamide (PubChem CID 126538116) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-(3,3-dimethylhexyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3,3-dimethylhexyl)ethanimidamide
PubChem CID126538116
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-(3,3-dimethylhexyl)ethanimidamide
SMILESCCCC(C)(C)CC/N=C(\C)N
InChIInChI=1S/C10H22N2/c1-5-6-10(3,4)7-8-12-9(2)11/h5-8H2,1-4H3,(H2,11,12)
InChIKeyCCRBICVUDXEYPG-UHFFFAOYSA-N
XLogP2.58
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.58
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'-(3,3-dimethylhexyl)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'-(3,3-dimethylhexyl)ethanimidamide?
The IUPAC name of N'-(3,3-dimethylhexyl)ethanimidamide (CID 126538116) is N'-(3,3-dimethylhexyl)ethanimidamide.
What is the SMILES notation for N'-(3,3-dimethylhexyl)ethanimidamide?
The canonical SMILES for N'-(3,3-dimethylhexyl)ethanimidamide is CCCC(C)(C)CC/N=C(\C)N.
What is the InChIKey of N'-(3,3-dimethylhexyl)ethanimidamide?
The InChIKey is CCRBICVUDXEYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-6-10(3,4)7-8-12-9(2)11/h5-8H2,1-4H3,(H2,11,12).
What are the key properties of N'-(3,3-dimethylhexyl)ethanimidamide?
N'-(3,3-dimethylhexyl)ethanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylhexyl)ethanimidamide is sourced from PubChem (CID 126538116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).