2-methylimino-N'-prop-1-en-2-ylethanimidamide

C6H11N3 — CID 153331512

IUPAC2-methylimino-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(N)/C=N/C
InChIInChI=1S/C6H11N3/c1-5(2)9-6(7)4-8-3/h4H,1H2,2-3H3,(H2,7,9)/b8-4+
InChIKeyYXNFYFRLFHENQT-XBXARRHUSA-N
MW125.17 g/mol
LogP0.58
Rot. Bonds2

About 2-methylimino-N'-prop-1-en-2-ylethanimidamide

2-methylimino-N'-prop-1-en-2-ylethanimidamide (PubChem CID 153331512) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methylimino-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Name2-methylimino-N'-prop-1-en-2-ylethanimidamide
PubChem CID153331512
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-methylimino-N'-prop-1-en-2-ylethanimidamide
SMILESC=C(C)/N=C(N)/C=N/C
InChIInChI=1S/C6H11N3/c1-5(2)9-6(7)4-8-3/h4H,1H2,2-3H3,(H2,7,9)/b8-4+
InChIKeyYXNFYFRLFHENQT-XBXARRHUSA-N
XLogP0.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylimino-N'-prop-1-en-2-ylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide
CID 89378957
2-Methyl-4-methylideneimidazol-1-ium
CID 91287056
N'-prop-1-en-2-ylethanimidamide
CID 91563328
N'-(N'-prop-1-en-2-ylcarbamimidoyl)ethanimidamide
CID 91589459
N'-ethyl-N-prop-1-en-2-ylethanimidamide
CID 123768299
N'-[(E)-2-aminoprop-1-enyl]ethanimidamide
CID 126539593
2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047
N-ethylidene-N'-prop-1-en-2-ylethanimidamide
CID 130376868
N'-prop-1-en-2-ylpropanimidamide
CID 132181307
N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
CID 134366012
N'-[(Z)-2-(propan-2-ylideneamino)prop-1-enyl]ethanimidamide
CID 134408487

Frequently Asked Questions

What is the IUPAC name of 2-methylimino-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of 2-methylimino-N'-prop-1-en-2-ylethanimidamide (CID 153331512) is 2-methylimino-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for 2-methylimino-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for 2-methylimino-N'-prop-1-en-2-ylethanimidamide is C=C(C)/N=C(N)/C=N/C.
What is the InChIKey of 2-methylimino-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is YXNFYFRLFHENQT-XBXARRHUSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-6(7)4-8-3/h4H,1H2,2-3H3,(H2,7,9)/b8-4+.
What are the key properties of 2-methylimino-N'-prop-1-en-2-ylethanimidamide?
2-methylimino-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylimino-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 153331512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).