N-(ethenyliminomethyl)-N'-methylethanimidamide

C6H11N3 — CID 123838406

IUPACN-(ethenyliminomethyl)-N'-methylethanimidamide
SMILESC=C/N=C/N/C(C)=N/C
InChIInChI=1S/C6H11N3/c1-4-8-5-9-6(2)7-3/h4-5H,1H2,2-3H3,(H,7,8,9)
InChIKeyNAEPCHSKQMUXIE-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.80
Rot. Bonds2

About N-(ethenyliminomethyl)-N'-methylethanimidamide

N-(ethenyliminomethyl)-N'-methylethanimidamide (PubChem CID 123838406) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-(ethenyliminomethyl)-N'-methylethanimidamide.

Molecular Properties

Compound NameN-(ethenyliminomethyl)-N'-methylethanimidamide
PubChem CID123838406
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-(ethenyliminomethyl)-N'-methylethanimidamide
SMILESC=C/N=C/N/C(C)=N/C
InChIInChI=1S/C6H11N3/c1-4-8-5-9-6(2)7-3/h4-5H,1H2,2-3H3,(H,7,8,9)
InChIKeyNAEPCHSKQMUXIE-UHFFFAOYSA-N
XLogP0.80
TPSA36.75 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 ≤ 50.80
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-(ethenyliminomethyl)-N'-methylethanimidamide?
The IUPAC name of N-(ethenyliminomethyl)-N'-methylethanimidamide (CID 123838406) is N-(ethenyliminomethyl)-N'-methylethanimidamide.
What is the SMILES notation for N-(ethenyliminomethyl)-N'-methylethanimidamide?
The canonical SMILES for N-(ethenyliminomethyl)-N'-methylethanimidamide is C=C/N=C/N/C(C)=N/C.
What is the InChIKey of N-(ethenyliminomethyl)-N'-methylethanimidamide?
The InChIKey is NAEPCHSKQMUXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-8-5-9-6(2)7-3/h4-5H,1H2,2-3H3,(H,7,8,9).
What are the key properties of N-(ethenyliminomethyl)-N'-methylethanimidamide?
N-(ethenyliminomethyl)-N'-methylethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenyliminomethyl)-N'-methylethanimidamide is sourced from PubChem (CID 123838406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).