N'-(methylaminomethyl)ethanimidamide

C4H11N3 — CID 123140477

IUPACN'-(methylaminomethyl)ethanimidamide
SMILESCNCN=C(C)N
InChIInChI=1S/C4H11N3/c1-4(5)7-3-6-2/h6H,3H2,1-2H3,(H2,5,7)
InChIKeyKNZSMOAOVHEOOL-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.46
Rot. Bonds2

About N'-(methylaminomethyl)ethanimidamide

N'-(methylaminomethyl)ethanimidamide (PubChem CID 123140477) has the molecular formula C4H11N3 and a molecular weight of 101.15 g/mol. Its IUPAC name is N'-(methylaminomethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(methylaminomethyl)ethanimidamide
PubChem CID123140477
Molecular FormulaC4H11N3
Molecular Weight101.15 g/mol
Exact Mass101.10
IUPAC NameN'-(methylaminomethyl)ethanimidamide
SMILESCNCN=C(C)N
InChIInChI=1S/C4H11N3/c1-4(5)7-3-6-2/h6H,3H2,1-2H3,(H2,5,7)
InChIKeyKNZSMOAOVHEOOL-UHFFFAOYSA-N
XLogP-0.46
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.46
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(methylaminomethyl)ethanimidamide?
The IUPAC name of N'-(methylaminomethyl)ethanimidamide (CID 123140477) is N'-(methylaminomethyl)ethanimidamide.
What is the SMILES notation for N'-(methylaminomethyl)ethanimidamide?
The canonical SMILES for N'-(methylaminomethyl)ethanimidamide is CNCN=C(C)N.
What is the InChIKey of N'-(methylaminomethyl)ethanimidamide?
The InChIKey is KNZSMOAOVHEOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3/c1-4(5)7-3-6-2/h6H,3H2,1-2H3,(H2,5,7).
What are the key properties of N'-(methylaminomethyl)ethanimidamide?
N'-(methylaminomethyl)ethanimidamide has a molecular weight of 101.15 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylaminomethyl)ethanimidamide is sourced from PubChem (CID 123140477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).