2-amino-3-methylbut-2-enimidamide

C5H11N3 — CID 138525809

IUPAC2-amino-3-methylbut-2-enimidamide
SMILES[H]/N=C(\N)C(N)=C(C)C
InChIInChI=1S/C5H11N3/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H3,7,8)
InChIKeyDEDRFKGJEMGCDU-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.17
Rot. Bonds1

About 2-amino-3-methylbut-2-enimidamide

2-amino-3-methylbut-2-enimidamide (PubChem CID 138525809) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-amino-3-methylbut-2-enimidamide.

Molecular Properties

Compound Name2-amino-3-methylbut-2-enimidamide
PubChem CID138525809
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name2-amino-3-methylbut-2-enimidamide
SMILES[H]/N=C(\N)C(N)=C(C)C
InChIInChI=1S/C5H11N3/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H3,7,8)
InChIKeyDEDRFKGJEMGCDU-UHFFFAOYSA-N
XLogP0.17
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.17
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbut-2-enimidamide?
The IUPAC name of 2-amino-3-methylbut-2-enimidamide (CID 138525809) is 2-amino-3-methylbut-2-enimidamide.
What is the SMILES notation for 2-amino-3-methylbut-2-enimidamide?
The canonical SMILES for 2-amino-3-methylbut-2-enimidamide is [H]/N=C(\N)C(N)=C(C)C.
What is the InChIKey of 2-amino-3-methylbut-2-enimidamide?
The InChIKey is DEDRFKGJEMGCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-3(2)4(6)5(7)8/h6H2,1-2H3,(H3,7,8).
What are the key properties of 2-amino-3-methylbut-2-enimidamide?
2-amino-3-methylbut-2-enimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbut-2-enimidamide is sourced from PubChem (CID 138525809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).