N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide

C8H13N3 — CID 134244000

IUPACN'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide
SMILESC=C/N=C/N=C(\N=C)C(C)C
InChIInChI=1S/C8H13N3/c1-5-10-6-11-8(9-4)7(2)3/h5-7H,1,4H2,2-3H3/b10-6+,11-8-
InChIKeySWUUBFZMRGOLGT-HOLFWZHHSA-N
MW151.21 g/mol
LogP1.91
Rot. Bonds3

About N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide

N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide (PubChem CID 134244000) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide.

Molecular Properties

Compound NameN'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide
PubChem CID134244000
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC NameN'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide
SMILESC=C/N=C/N=C(\N=C)C(C)C
InChIInChI=1S/C8H13N3/c1-5-10-6-11-8(9-4)7(2)3/h5-7H,1,4H2,2-3H3/b10-6+,11-8-
InChIKeySWUUBFZMRGOLGT-HOLFWZHHSA-N
XLogP1.91
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.91
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'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide 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'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide?
The IUPAC name of N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide (CID 134244000) is N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide.
What is the SMILES notation for N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide?
The canonical SMILES for N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide is C=C/N=C/N=C(\N=C)C(C)C.
What is the InChIKey of N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide?
The InChIKey is SWUUBFZMRGOLGT-HOLFWZHHSA-N. The full InChI is InChI=1S/C8H13N3/c1-5-10-6-11-8(9-4)7(2)3/h5-7H,1,4H2,2-3H3/b10-6+,11-8-.
What are the key properties of N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide?
N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide has a molecular weight of 151.21 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(ethenyliminomethyl)-2-methyl-N-methylidenepropanimidamide is sourced from PubChem (CID 134244000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).