2-methylpent-3-enimidamide

C6H12N2 — CID 135213696

IUPAC2-methylpent-3-enimidamide
SMILES[H]/N=C(\N)C(C)C=CC
InChIInChI=1S/C6H12N2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H3,7,8)
InChIKeyUEGOLMLOYQNPCW-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.13
Rot. Bonds2

About 2-methylpent-3-enimidamide

2-methylpent-3-enimidamide (PubChem CID 135213696) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-methylpent-3-enimidamide.

Molecular Properties

Compound Name2-methylpent-3-enimidamide
PubChem CID135213696
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-methylpent-3-enimidamide
SMILES[H]/N=C(\N)C(C)C=CC
InChIInChI=1S/C6H12N2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H3,7,8)
InChIKeyUEGOLMLOYQNPCW-UHFFFAOYSA-N
XLogP1.13
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpent-3-enimidamide?
The IUPAC name of 2-methylpent-3-enimidamide (CID 135213696) is 2-methylpent-3-enimidamide.
What is the SMILES notation for 2-methylpent-3-enimidamide?
The canonical SMILES for 2-methylpent-3-enimidamide is [H]/N=C(\N)C(C)C=CC.
What is the InChIKey of 2-methylpent-3-enimidamide?
The InChIKey is UEGOLMLOYQNPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H3,7,8).
What are the key properties of 2-methylpent-3-enimidamide?
2-methylpent-3-enimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-3-enimidamide is sourced from PubChem (CID 135213696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).