N,N'-dimethyl-2-methyliminoethanimidamide

C5H11N3 — CID 90453900

IUPACN,N'-dimethyl-2-methyliminoethanimidamide
SMILESC/N=C(/C=N/C)NC
InChIInChI=1S/C5H11N3/c1-6-4-5(7-2)8-3/h4H,1-3H3,(H,7,8)/b6-4+
InChIKeySTRANRHWYCSZLB-GQCTYLIASA-N
MW113.16 g/mol
LogP-0.07
Rot. Bonds1

About N,N'-dimethyl-2-methyliminoethanimidamide

N,N'-dimethyl-2-methyliminoethanimidamide (PubChem CID 90453900) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N,N'-dimethyl-2-methyliminoethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-2-methyliminoethanimidamide
PubChem CID90453900
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN,N'-dimethyl-2-methyliminoethanimidamide
SMILESC/N=C(/C=N/C)NC
InChIInChI=1S/C5H11N3/c1-6-4-5(7-2)8-3/h4H,1-3H3,(H,7,8)/b6-4+
InChIKeySTRANRHWYCSZLB-GQCTYLIASA-N
XLogP-0.07
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.07
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'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-methyliminoethanimidamide?
The IUPAC name of N,N'-dimethyl-2-methyliminoethanimidamide (CID 90453900) is N,N'-dimethyl-2-methyliminoethanimidamide.
What is the SMILES notation for N,N'-dimethyl-2-methyliminoethanimidamide?
The canonical SMILES for N,N'-dimethyl-2-methyliminoethanimidamide is C/N=C(/C=N/C)NC.
What is the InChIKey of N,N'-dimethyl-2-methyliminoethanimidamide?
The InChIKey is STRANRHWYCSZLB-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11N3/c1-6-4-5(7-2)8-3/h4H,1-3H3,(H,7,8)/b6-4+.
What are the key properties of N,N'-dimethyl-2-methyliminoethanimidamide?
N,N'-dimethyl-2-methyliminoethanimidamide has a molecular weight of 113.16 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-methyliminoethanimidamide is sourced from PubChem (CID 90453900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).