N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine

C8H18N4 — CID 142918277

IUPACN'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine
SMILESC=C/N=C(N)/C=N/C.CCNC
InChIInChI=1S/C5H9N3.C3H9N/c1-3-8-5(6)4-7-2;1-3-4-2/h3-4H,1H2,2H3,(H2,6,8);4H,3H2,1-2H3/b7-4+;
InChIKeyOTJWXKQAGVSAOT-KQGICBIGSA-N
MW170.26 g/mol
LogP0.41
Rot. Bonds3

About N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine

N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine (PubChem CID 142918277) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine.

Molecular Properties

Compound NameN'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine
PubChem CID142918277
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC NameN'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine
SMILESC=C/N=C(N)/C=N/C.CCNC
InChIInChI=1S/C5H9N3.C3H9N/c1-3-8-5(6)4-7-2;1-3-4-2/h3-4H,1H2,2H3,(H2,6,8);4H,3H2,1-2H3/b7-4+;
InChIKeyOTJWXKQAGVSAOT-KQGICBIGSA-N
XLogP0.41
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethenyl-N'-ethylethanimidamide
CID 87281065
ethyl-[(Z)-2-(ethylamino)ethenyl]-ethylideneazanium
CID 88931742
2-ethenylimino-N'-ethylethanimidamide
CID 90250548
N-ethenyl-N'-methylethanimidamide
CID 91237354
N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide
CID 123147135
N'-[(Z)-2-[butyl(methyl)amino]ethenyl]-N-ethenyl-2-ethyliminoethanimidamide
CID 123260106
N,N'-bis(ethenyl)ethanimidamide
CID 123397072
N-(ethenyliminomethyl)-N'-methylethanimidamide
CID 123838406
N-ethenyl-N'-(methyliminomethyl)ethanimidamide
CID 129313703
N-ethenyl-2-imino-N'-methylethanimidamide
CID 134444064
ethane;N-ethenyl-N'-methylethanimidamide
CID 141984025
ethane;N-ethenyl-1-[(Z)-ethylideneamino]ethenamine
CID 142074121

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine?
The IUPAC name of N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine (CID 142918277) is N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine.
What is the SMILES notation for N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine?
The canonical SMILES for N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine is C=C/N=C(N)/C=N/C.CCNC.
What is the InChIKey of N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine?
The InChIKey is OTJWXKQAGVSAOT-KQGICBIGSA-N. The full InChI is InChI=1S/C5H9N3.C3H9N/c1-3-8-5(6)4-7-2;1-3-4-2/h3-4H,1H2,2H3,(H2,6,8);4H,3H2,1-2H3/b7-4+;.
What are the key properties of N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine?
N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine has a molecular weight of 170.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-2-methyliminoethanimidamide;N-methylethanamine is sourced from PubChem (CID 142918277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).