3-amino-N'-ethenylbutanimidamide

C6H13N3 — CID 170029021

IUPAC3-amino-N'-ethenylbutanimidamide
SMILESC=C/N=C(\N)CC(C)N
InChIInChI=1S/C6H13N3/c1-3-9-6(8)4-5(2)7/h3,5H,1,4,7H2,2H3,(H2,8,9)
InChIKeyMWPLWJKQSZQXHR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.22
Rot. Bonds3

About 3-amino-N'-ethenylbutanimidamide

3-amino-N'-ethenylbutanimidamide (PubChem CID 170029021) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-amino-N'-ethenylbutanimidamide.

Molecular Properties

Compound Name3-amino-N'-ethenylbutanimidamide
PubChem CID170029021
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name3-amino-N'-ethenylbutanimidamide
SMILESC=C/N=C(\N)CC(C)N
InChIInChI=1S/C6H13N3/c1-3-9-6(8)4-5(2)7/h3,5H,1,4,7H2,2H3,(H2,8,9)
InChIKeyMWPLWJKQSZQXHR-UHFFFAOYSA-N
XLogP0.22
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.22
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 3-amino-N'-ethenylbutanimidamide?
The IUPAC name of 3-amino-N'-ethenylbutanimidamide (CID 170029021) is 3-amino-N'-ethenylbutanimidamide.
What is the SMILES notation for 3-amino-N'-ethenylbutanimidamide?
The canonical SMILES for 3-amino-N'-ethenylbutanimidamide is C=C/N=C(\N)CC(C)N.
What is the InChIKey of 3-amino-N'-ethenylbutanimidamide?
The InChIKey is MWPLWJKQSZQXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-9-6(8)4-5(2)7/h3,5H,1,4,7H2,2H3,(H2,8,9).
What are the key properties of 3-amino-N'-ethenylbutanimidamide?
3-amino-N'-ethenylbutanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-ethenylbutanimidamide is sourced from PubChem (CID 170029021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).