N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide

C6H13N3 — CID 155140146

IUPACN-ethenyl-N-ethyl-N'-(methylamino)methanimidamide
SMILESC=CN(/C=N\NC)CC
InChIInChI=1S/C6H13N3/c1-4-9(5-2)6-8-7-3/h4,6-7H,1,5H2,2-3H3/b8-6-
InChIKeyUENISCCFNAYQLA-VURMDHGXSA-N
MW127.19 g/mol
LogP0.61
Rot. Bonds4

About N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide

N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide (PubChem CID 155140146) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide.

Molecular Properties

Compound NameN-ethenyl-N-ethyl-N'-(methylamino)methanimidamide
PubChem CID155140146
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-ethenyl-N-ethyl-N'-(methylamino)methanimidamide
SMILESC=CN(/C=N\NC)CC
InChIInChI=1S/C6H13N3/c1-4-9(5-2)6-8-7-3/h4,6-7H,1,5H2,2-3H3/b8-6-
InChIKeyUENISCCFNAYQLA-VURMDHGXSA-N
XLogP0.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.61
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide?
The IUPAC name of N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide (CID 155140146) is N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide.
What is the SMILES notation for N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide?
The canonical SMILES for N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide is C=CN(/C=N\NC)CC.
What is the InChIKey of N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide?
The InChIKey is UENISCCFNAYQLA-VURMDHGXSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-9(5-2)6-8-7-3/h4,6-7H,1,5H2,2-3H3/b8-6-.
What are the key properties of N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide?
N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-ethyl-N'-(methylamino)methanimidamide is sourced from PubChem (CID 155140146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).