N'-but-1-en-2-yl-N-ethylidenemethanimidamide

C7H12N2 — CID 134316537

IUPACN'-but-1-en-2-yl-N-ethylidenemethanimidamide
SMILESC=C(CC)/N=C/N=C/C
InChIInChI=1S/C7H12N2/c1-4-7(3)9-6-8-5-2/h5-6H,3-4H2,1-2H3/b8-5+,9-6+
InChIKeyNWHJIJCJKOJEJJ-XVYDYJIPSA-N
MW124.19 g/mol
LogP2.03
Rot. Bonds3

About N'-but-1-en-2-yl-N-ethylidenemethanimidamide

N'-but-1-en-2-yl-N-ethylidenemethanimidamide (PubChem CID 134316537) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N'-but-1-en-2-yl-N-ethylidenemethanimidamide.

Molecular Properties

Compound NameN'-but-1-en-2-yl-N-ethylidenemethanimidamide
PubChem CID134316537
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN'-but-1-en-2-yl-N-ethylidenemethanimidamide
SMILESC=C(CC)/N=C/N=C/C
InChIInChI=1S/C7H12N2/c1-4-7(3)9-6-8-5-2/h5-6H,3-4H2,1-2H3/b8-5+,9-6+
InChIKeyNWHJIJCJKOJEJJ-XVYDYJIPSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
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'-but-1-en-2-yl-N-ethylidenemethanimidamide 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'-but-1-en-2-yl-N-ethylidenemethanimidamide?
The IUPAC name of N'-but-1-en-2-yl-N-ethylidenemethanimidamide (CID 134316537) is N'-but-1-en-2-yl-N-ethylidenemethanimidamide.
What is the SMILES notation for N'-but-1-en-2-yl-N-ethylidenemethanimidamide?
The canonical SMILES for N'-but-1-en-2-yl-N-ethylidenemethanimidamide is C=C(CC)/N=C/N=C/C.
What is the InChIKey of N'-but-1-en-2-yl-N-ethylidenemethanimidamide?
The InChIKey is NWHJIJCJKOJEJJ-XVYDYJIPSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(3)9-6-8-5-2/h5-6H,3-4H2,1-2H3/b8-5+,9-6+.
What are the key properties of N'-but-1-en-2-yl-N-ethylidenemethanimidamide?
N'-but-1-en-2-yl-N-ethylidenemethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-1-en-2-yl-N-ethylidenemethanimidamide is sourced from PubChem (CID 134316537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).