2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide

C9H17N3 — CID 142067315

IUPAC2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide
SMILESC=CN/C(=N\CC)C(N)=C(C)C
InChIInChI=1S/C9H17N3/c1-5-11-9(12-6-2)8(10)7(3)4/h5H,1,6,10H2,2-4H3,(H,11,12)
InChIKeyTWNGVZUUWXEFSA-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.39
Rot. Bonds3

About 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide

2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide (PubChem CID 142067315) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide.

Molecular Properties

Compound Name2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide
PubChem CID142067315
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide
SMILESC=CN/C(=N\CC)C(N)=C(C)C
InChIInChI=1S/C9H17N3/c1-5-11-9(12-6-2)8(10)7(3)4/h5H,1,6,10H2,2-4H3,(H,11,12)
InChIKeyTWNGVZUUWXEFSA-UHFFFAOYSA-N
XLogP1.39
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
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

(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide
CID 88944307
(Z)-3-amino-2-(2-aminoethylamino)-N'-ethenylbut-2-enimidamide
CID 89682228
(2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide
CID 126510332
N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine
CID 136596177
ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine
CID 142067313
2-amino-N'-ethenyl-3-methylbut-2-enimidamide;ethane;ethene
CID 142067318
2-amino-N'-ethenyl-3-methylbut-2-enimidamide
CID 142067319
ethane;N-ethenyl-5-propan-2-ylidene-1,2-dihydroimidazol-4-amine
CID 142067320
(Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane
CID 142292806
N'-ethenyl-2-(methylamino)prop-2-enimidamide
CID 146643657
(Z)-3-amino-N'-ethenyl-2-(prop-1-enylamino)but-2-enimidamide
CID 156229905
ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine
CID 157028997

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide?
The IUPAC name of 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide (CID 142067315) is 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide.
What is the SMILES notation for 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide?
The canonical SMILES for 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide is C=CN/C(=N\CC)C(N)=C(C)C.
What is the InChIKey of 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide?
The InChIKey is TWNGVZUUWXEFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-11-9(12-6-2)8(10)7(3)4/h5H,1,6,10H2,2-4H3,(H,11,12).
What are the key properties of 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide?
2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethenyl-N'-ethyl-3-methylbut-2-enimidamide is sourced from PubChem (CID 142067315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).