3-imino-N'-prop-2-enylbutanimidamide

C7H13N3 — CID 123285193

IUPAC3-imino-N'-prop-2-enylbutanimidamide
SMILES[H]/N=C(\C)C/C(N)=N/CC=C
InChIInChI=1S/C7H13N3/c1-3-4-10-7(9)5-6(2)8/h3,8H,1,4-5H2,2H3,(H2,9,10)/b8-6+
InChIKeyGZQUDHDDKXRGLA-SOFGYWHQSA-N
MW139.20 g/mol
LogP0.96
Rot. Bonds4

About 3-imino-N'-prop-2-enylbutanimidamide

3-imino-N'-prop-2-enylbutanimidamide (PubChem CID 123285193) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-imino-N'-prop-2-enylbutanimidamide.

Molecular Properties

Compound Name3-imino-N'-prop-2-enylbutanimidamide
PubChem CID123285193
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-imino-N'-prop-2-enylbutanimidamide
SMILES[H]/N=C(\C)C/C(N)=N/CC=C
InChIInChI=1S/C7H13N3/c1-3-4-10-7(9)5-6(2)8/h3,8H,1,4-5H2,2H3,(H2,9,10)/b8-6+
InChIKeyGZQUDHDDKXRGLA-SOFGYWHQSA-N
XLogP0.96
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.96
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N'-prop-2-enylbutanimidamide?
The IUPAC name of 3-imino-N'-prop-2-enylbutanimidamide (CID 123285193) is 3-imino-N'-prop-2-enylbutanimidamide.
What is the SMILES notation for 3-imino-N'-prop-2-enylbutanimidamide?
The canonical SMILES for 3-imino-N'-prop-2-enylbutanimidamide is [H]/N=C(\C)C/C(N)=N/CC=C.
What is the InChIKey of 3-imino-N'-prop-2-enylbutanimidamide?
The InChIKey is GZQUDHDDKXRGLA-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-4-10-7(9)5-6(2)8/h3,8H,1,4-5H2,2H3,(H2,9,10)/b8-6+.
What are the key properties of 3-imino-N'-prop-2-enylbutanimidamide?
3-imino-N'-prop-2-enylbutanimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N'-prop-2-enylbutanimidamide is sourced from PubChem (CID 123285193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).