2-ethanimidoyl-3-methylbut-2-enimidamide

C7H13N3 — CID 91356072

IUPAC2-ethanimidoyl-3-methylbut-2-enimidamide
SMILES[H]/N=C(\N)C(=C(C)C)/C(C)=N/[H]
InChIInChI=1S/C7H13N3/c1-4(2)6(5(3)8)7(9)10/h8H,1-3H3,(H3,9,10)/b8-5+
InChIKeyKRXDUMGTEGPZNJ-VMPITWQZSA-N
MW139.20 g/mol
LogP1.30
Rot. Bonds2

About 2-ethanimidoyl-3-methylbut-2-enimidamide

2-ethanimidoyl-3-methylbut-2-enimidamide (PubChem CID 91356072) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethanimidoyl-3-methylbut-2-enimidamide.

Molecular Properties

Compound Name2-ethanimidoyl-3-methylbut-2-enimidamide
PubChem CID91356072
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-ethanimidoyl-3-methylbut-2-enimidamide
SMILES[H]/N=C(\N)C(=C(C)C)/C(C)=N/[H]
InChIInChI=1S/C7H13N3/c1-4(2)6(5(3)8)7(9)10/h8H,1-3H3,(H3,9,10)/b8-5+
InChIKeyKRXDUMGTEGPZNJ-VMPITWQZSA-N
XLogP1.30
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.30
H-Bond Donors ≤ 53
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-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide
CID 123545589
(2E)-2-ethylidene-3-imino-5-methylhex-4-enimidamide
CID 123990994
4,5,6-Trimethylpyridine-2,3-diimine
CID 142838768
(E)-2-ethylbut-2-enimidamide
CID 145002073
2,3-Dimethylpent-2-enimidamide
CID 174844262
2-Ethanimidoyl-3-methylbut-2-enimidamide;molecular hydrogen
CID 176553349

Frequently Asked Questions

What is the IUPAC name of 2-ethanimidoyl-3-methylbut-2-enimidamide?
The IUPAC name of 2-ethanimidoyl-3-methylbut-2-enimidamide (CID 91356072) is 2-ethanimidoyl-3-methylbut-2-enimidamide.
What is the SMILES notation for 2-ethanimidoyl-3-methylbut-2-enimidamide?
The canonical SMILES for 2-ethanimidoyl-3-methylbut-2-enimidamide is [H]/N=C(\N)C(=C(C)C)/C(C)=N/[H].
What is the InChIKey of 2-ethanimidoyl-3-methylbut-2-enimidamide?
The InChIKey is KRXDUMGTEGPZNJ-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13N3/c1-4(2)6(5(3)8)7(9)10/h8H,1-3H3,(H3,9,10)/b8-5+.
What are the key properties of 2-ethanimidoyl-3-methylbut-2-enimidamide?
2-ethanimidoyl-3-methylbut-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethanimidoyl-3-methylbut-2-enimidamide is sourced from PubChem (CID 91356072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).