N-ethenyl-N'-methanimidoylbutanimidamide

C7H13N3 — CID 176532591

IUPACN-ethenyl-N'-methanimidoylbutanimidamide
SMILES[H]/N=C/N=C(\CCC)NC=C
InChIInChI=1S/C7H13N3/c1-3-5-7(9-4-2)10-6-8/h4,6H,2-3,5H2,1H3,(H2,8,9,10)
InChIKeyAHHZOINTJLZEOL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.53
Rot. Bonds4

About N-ethenyl-N'-methanimidoylbutanimidamide

N-ethenyl-N'-methanimidoylbutanimidamide (PubChem CID 176532591) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-ethenyl-N'-methanimidoylbutanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-methanimidoylbutanimidamide
PubChem CID176532591
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-ethenyl-N'-methanimidoylbutanimidamide
SMILES[H]/N=C/N=C(\CCC)NC=C
InChIInChI=1S/C7H13N3/c1-3-5-7(9-4-2)10-6-8/h4,6H,2-3,5H2,1H3,(H2,8,9,10)
InChIKeyAHHZOINTJLZEOL-UHFFFAOYSA-N
XLogP1.53
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-methanimidoylbutanimidamide?
The IUPAC name of N-ethenyl-N'-methanimidoylbutanimidamide (CID 176532591) is N-ethenyl-N'-methanimidoylbutanimidamide.
What is the SMILES notation for N-ethenyl-N'-methanimidoylbutanimidamide?
The canonical SMILES for N-ethenyl-N'-methanimidoylbutanimidamide is [H]/N=C/N=C(\CCC)NC=C.
What is the InChIKey of N-ethenyl-N'-methanimidoylbutanimidamide?
The InChIKey is AHHZOINTJLZEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-5-7(9-4-2)10-6-8/h4,6H,2-3,5H2,1H3,(H2,8,9,10).
What are the key properties of N-ethenyl-N'-methanimidoylbutanimidamide?
N-ethenyl-N'-methanimidoylbutanimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-methanimidoylbutanimidamide is sourced from PubChem (CID 176532591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).