2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide

C8H15N3 — CID 123545589

IUPAC2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide
SMILES[H]/N=C(\N)C(=C(C)C)/C(C)=N/C
InChIInChI=1S/C8H15N3/c1-5(2)7(8(9)10)6(3)11-4/h1-4H3,(H3,9,10)/b11-6+
InChIKeyZVRYHEGAIOXKOP-IZZDOVSWSA-N
MW153.23 g/mol
LogP1.35
Rot. Bonds2

About 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide

2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide (PubChem CID 123545589) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide.

Molecular Properties

Compound Name2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide
PubChem CID123545589
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide
SMILES[H]/N=C(\N)C(=C(C)C)/C(C)=N/C
InChIInChI=1S/C8H15N3/c1-5(2)7(8(9)10)6(3)11-4/h1-4H3,(H3,9,10)/b11-6+
InChIKeyZVRYHEGAIOXKOP-IZZDOVSWSA-N
XLogP1.35
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide?
The IUPAC name of 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide (CID 123545589) is 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide.
What is the SMILES notation for 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide?
The canonical SMILES for 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide is [H]/N=C(\N)C(=C(C)C)/C(C)=N/C.
What is the InChIKey of 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide?
The InChIKey is ZVRYHEGAIOXKOP-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H15N3/c1-5(2)7(8(9)10)6(3)11-4/h1-4H3,(H3,9,10)/b11-6+.
What are the key properties of 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide?
2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide has a molecular weight of 153.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enimidamide is sourced from PubChem (CID 123545589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).