N'-ethenyl-N-(methylamino)propanimidamide

C6H13N3 — CID 142952384

IUPACN'-ethenyl-N-(methylamino)propanimidamide
SMILESC=C/N=C(\CC)NNC
InChIInChI=1S/C6H13N3/c1-4-6(8-5-2)9-7-3/h5,7H,2,4H2,1,3H3,(H,8,9)
InChIKeyKPKMZXYRFHFYQY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.66
Rot. Bonds3

About N'-ethenyl-N-(methylamino)propanimidamide

N'-ethenyl-N-(methylamino)propanimidamide (PubChem CID 142952384) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-ethenyl-N-(methylamino)propanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-(methylamino)propanimidamide
PubChem CID142952384
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-ethenyl-N-(methylamino)propanimidamide
SMILESC=C/N=C(\CC)NNC
InChIInChI=1S/C6H13N3/c1-4-6(8-5-2)9-7-3/h5,7H,2,4H2,1,3H3,(H,8,9)
InChIKeyKPKMZXYRFHFYQY-UHFFFAOYSA-N
XLogP0.66
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-ethenyl-N-(methylamino)propanimidamide 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'-ethenyl-N-(methylamino)propanimidamide?
The IUPAC name of N'-ethenyl-N-(methylamino)propanimidamide (CID 142952384) is N'-ethenyl-N-(methylamino)propanimidamide.
What is the SMILES notation for N'-ethenyl-N-(methylamino)propanimidamide?
The canonical SMILES for N'-ethenyl-N-(methylamino)propanimidamide is C=C/N=C(\CC)NNC.
What is the InChIKey of N'-ethenyl-N-(methylamino)propanimidamide?
The InChIKey is KPKMZXYRFHFYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-6(8-5-2)9-7-3/h5,7H,2,4H2,1,3H3,(H,8,9).
What are the key properties of N'-ethenyl-N-(methylamino)propanimidamide?
N'-ethenyl-N-(methylamino)propanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-(methylamino)propanimidamide is sourced from PubChem (CID 142952384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).