N,N'-dimethyl-2-(methylamino)ethanimidamide

C5H13N3 — CID 91138075

IUPACN,N'-dimethyl-2-(methylamino)ethanimidamide
SMILESC/N=C(/CNC)NC
InChIInChI=1S/C5H13N3/c1-6-4-5(7-2)8-3/h6H,4H2,1-3H3,(H,7,8)
InChIKeyGQWLHKUYCOQIRO-UHFFFAOYSA-N
MW115.18 g/mol
LogP-0.55
Rot. Bonds2

About N,N'-dimethyl-2-(methylamino)ethanimidamide

N,N'-dimethyl-2-(methylamino)ethanimidamide (PubChem CID 91138075) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is N,N'-dimethyl-2-(methylamino)ethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-2-(methylamino)ethanimidamide
PubChem CID91138075
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC NameN,N'-dimethyl-2-(methylamino)ethanimidamide
SMILESC/N=C(/CNC)NC
InChIInChI=1S/C5H13N3/c1-6-4-5(7-2)8-3/h6H,4H2,1-3H3,(H,7,8)
InChIKeyGQWLHKUYCOQIRO-UHFFFAOYSA-N
XLogP-0.55
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.55
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,N'-dimethyl-2-(methylamino)ethanimidamide?
The IUPAC name of N,N'-dimethyl-2-(methylamino)ethanimidamide (CID 91138075) is N,N'-dimethyl-2-(methylamino)ethanimidamide.
What is the SMILES notation for N,N'-dimethyl-2-(methylamino)ethanimidamide?
The canonical SMILES for N,N'-dimethyl-2-(methylamino)ethanimidamide is C/N=C(/CNC)NC.
What is the InChIKey of N,N'-dimethyl-2-(methylamino)ethanimidamide?
The InChIKey is GQWLHKUYCOQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c1-6-4-5(7-2)8-3/h6H,4H2,1-3H3,(H,7,8).
What are the key properties of N,N'-dimethyl-2-(methylamino)ethanimidamide?
N,N'-dimethyl-2-(methylamino)ethanimidamide has a molecular weight of 115.18 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-(methylamino)ethanimidamide is sourced from PubChem (CID 91138075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).