N'-[1-(ethylideneamino)ethenyl]methanimidamide

C5H9N3 — CID 123961472

IUPACN'-[1-(ethylideneamino)ethenyl]methanimidamide
SMILESC=C(N=CC)N=CN
InChIInChI=1S/C5H9N3/c1-3-7-5(2)8-4-6/h3-4H,2H2,1H3,(H2,6,8)
InChIKeyARBGOSLPTOCUCP-UHFFFAOYSA-N
MW111.15 g/mol
LogP0.54
Rot. Bonds2

About N'-[1-(ethylideneamino)ethenyl]methanimidamide

N'-[1-(ethylideneamino)ethenyl]methanimidamide (PubChem CID 123961472) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N'-[1-(ethylideneamino)ethenyl]methanimidamide.

Molecular Properties

Compound NameN'-[1-(ethylideneamino)ethenyl]methanimidamide
PubChem CID123961472
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN'-[1-(ethylideneamino)ethenyl]methanimidamide
SMILESC=C(N=CC)N=CN
InChIInChI=1S/C5H9N3/c1-3-7-5(2)8-4-6/h3-4H,2H2,1H3,(H2,6,8)
InChIKeyARBGOSLPTOCUCP-UHFFFAOYSA-N
XLogP0.54
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 50.54
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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Related Compounds

2-ethenylimino-N'-ethylethanimidamide
CID 90250548
2-Ethenyl-1-ethylideneguanidine
CID 123718610
(Z)-2-(methylideneamino)-2-(propylideneamino)ethenamine
CID 123856235
2-ethenylimino-N'-methylethanimidamide
CID 142598082
1-(Ethylideneamino)ethenamine
CID 143896556
Ethane;2-(ethylideneamino)ethene-1,1-diamine
CID 144045961
2-(Ethylideneamino)ethene-1,1-diamine
CID 144045962
ethane;1-[(Z)-ethylideneamino]ethenamine
CID 144436195
N'-ethenyl-2-methyliminoethanimidamide;molecular hydrogen
CID 144607041
1-(ethylideneamino)-N-methylethenamine
CID 153645694
(E)-1-(ethylideneamino)ethene-1,2-diamine
CID 164091161
ethene;1-[(Z)-ethylideneamino]ethenamine
CID 169103055

Frequently Asked Questions

What is the IUPAC name of N'-[1-(ethylideneamino)ethenyl]methanimidamide?
The IUPAC name of N'-[1-(ethylideneamino)ethenyl]methanimidamide (CID 123961472) is N'-[1-(ethylideneamino)ethenyl]methanimidamide.
What is the SMILES notation for N'-[1-(ethylideneamino)ethenyl]methanimidamide?
The canonical SMILES for N'-[1-(ethylideneamino)ethenyl]methanimidamide is C=C(N=CC)N=CN.
What is the InChIKey of N'-[1-(ethylideneamino)ethenyl]methanimidamide?
The InChIKey is ARBGOSLPTOCUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-3-7-5(2)8-4-6/h3-4H,2H2,1H3,(H2,6,8).
What are the key properties of N'-[1-(ethylideneamino)ethenyl]methanimidamide?
N'-[1-(ethylideneamino)ethenyl]methanimidamide has a molecular weight of 111.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(ethylideneamino)ethenyl]methanimidamide is sourced from PubChem (CID 123961472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).