N-ethyl-N-(2-methylpropyl)methanimidamide

C7H16N2 — CID 168946732

IUPACN-ethyl-N-(2-methylpropyl)methanimidamide
SMILES[H]/N=C/N(CC)CC(C)C
InChIInChI=1S/C7H16N2/c1-4-9(6-8)5-7(2)3/h6-8H,4-5H2,1-3H3/b8-6+
InChIKeyJPGZKOOIEYRZAI-SOFGYWHQSA-N
MW128.22 g/mol
LogP1.57
Rot. Bonds4

About N-ethyl-N-(2-methylpropyl)methanimidamide

N-ethyl-N-(2-methylpropyl)methanimidamide (PubChem CID 168946732) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-ethyl-N-(2-methylpropyl)methanimidamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylpropyl)methanimidamide
PubChem CID168946732
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-ethyl-N-(2-methylpropyl)methanimidamide
SMILES[H]/N=C/N(CC)CC(C)C
InChIInChI=1S/C7H16N2/c1-4-9(6-8)5-7(2)3/h6-8H,4-5H2,1-3H3/b8-6+
InChIKeyJPGZKOOIEYRZAI-SOFGYWHQSA-N
XLogP1.57
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.57
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-ethyl-N-(2-methylpropyl)methanimidamide 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-ethyl-N-(2-methylpropyl)methanimidamide?
The IUPAC name of N-ethyl-N-(2-methylpropyl)methanimidamide (CID 168946732) is N-ethyl-N-(2-methylpropyl)methanimidamide.
What is the SMILES notation for N-ethyl-N-(2-methylpropyl)methanimidamide?
The canonical SMILES for N-ethyl-N-(2-methylpropyl)methanimidamide is [H]/N=C/N(CC)CC(C)C.
What is the InChIKey of N-ethyl-N-(2-methylpropyl)methanimidamide?
The InChIKey is JPGZKOOIEYRZAI-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-9(6-8)5-7(2)3/h6-8H,4-5H2,1-3H3/b8-6+.
What are the key properties of N-ethyl-N-(2-methylpropyl)methanimidamide?
N-ethyl-N-(2-methylpropyl)methanimidamide has a molecular weight of 128.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylpropyl)methanimidamide is sourced from PubChem (CID 168946732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).