N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide

C6H11N3 — CID 145497001

IUPACN,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide
SMILESC=NC(=C)/C(=N/C)NC
InChIInChI=1S/C6H11N3/c1-5(7-2)6(8-3)9-4/h1-2H2,3-4H3,(H,8,9)
InChIKeyOLEPUMKBKYUQFX-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.45
Rot. Bonds2

About N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide

N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide (PubChem CID 145497001) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide
PubChem CID145497001
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide
SMILESC=NC(=C)/C(=N/C)NC
InChIInChI=1S/C6H11N3/c1-5(7-2)6(8-3)9-4/h1-2H2,3-4H3,(H,8,9)
InChIKeyOLEPUMKBKYUQFX-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
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-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide
CID 123160897
N-ethyl-2-(ethylideneamino)-N'-methylprop-2-enimidamide
CID 123430551
N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine
CID 136596177
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 137030202
(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine
CID 137220482
(Z)-N'-methanimidoyl-3-(methylamino)-2-(methylideneamino)prop-2-enimidamide
CID 139308369
2-amino-N'-ethyl-N,N-dimethylprop-2-enimidamide
CID 140299110
2-amino-N'-methylprop-2-enimidamide
CID 142142283
N'-methyl-2-(methylideneamino)prop-2-enimidamide
CID 142901244
4,5-dimethylidene-1H-imidazole;ethane
CID 143274176
(Z)-3-amino-N,N'-dimethyl-2-(methylideneamino)but-2-enimidamide
CID 143940343
ethane;(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine;molecular hydrogen
CID 145371011

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide?
The IUPAC name of N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide (CID 145497001) is N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide.
What is the SMILES notation for N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide?
The canonical SMILES for N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide is C=NC(=C)/C(=N/C)NC.
What is the InChIKey of N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide?
The InChIKey is OLEPUMKBKYUQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(7-2)6(8-3)9-4/h1-2H2,3-4H3,(H,8,9).
What are the key properties of N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide?
N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide is sourced from PubChem (CID 145497001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).