N'-(2-aminobut-1-enyl)ethanimidamide

C6H13N3 — CID 174084057

IUPACN'-(2-aminobut-1-enyl)ethanimidamide
SMILESCCC(N)=C/N=C(\C)N
InChIInChI=1S/C6H13N3/c1-3-6(8)4-9-5(2)7/h4H,3,8H2,1-2H3,(H2,7,9)
InChIKeyLLGHBPFWIRNDMR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.57
Rot. Bonds2

About N'-(2-aminobut-1-enyl)ethanimidamide

N'-(2-aminobut-1-enyl)ethanimidamide (PubChem CID 174084057) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N'-(2-aminobut-1-enyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-aminobut-1-enyl)ethanimidamide
PubChem CID174084057
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN'-(2-aminobut-1-enyl)ethanimidamide
SMILESCCC(N)=C/N=C(\C)N
InChIInChI=1S/C6H13N3/c1-3-6(8)4-9-5(2)7/h4H,3,8H2,1-2H3,(H2,7,9)
InChIKeyLLGHBPFWIRNDMR-UHFFFAOYSA-N
XLogP0.57
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.57
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 N'-(2-aminobut-1-enyl)ethanimidamide?
The IUPAC name of N'-(2-aminobut-1-enyl)ethanimidamide (CID 174084057) is N'-(2-aminobut-1-enyl)ethanimidamide.
What is the SMILES notation for N'-(2-aminobut-1-enyl)ethanimidamide?
The canonical SMILES for N'-(2-aminobut-1-enyl)ethanimidamide is CCC(N)=C/N=C(\C)N.
What is the InChIKey of N'-(2-aminobut-1-enyl)ethanimidamide?
The InChIKey is LLGHBPFWIRNDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-6(8)4-9-5(2)7/h4H,3,8H2,1-2H3,(H2,7,9).
What are the key properties of N'-(2-aminobut-1-enyl)ethanimidamide?
N'-(2-aminobut-1-enyl)ethanimidamide has a molecular weight of 127.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminobut-1-enyl)ethanimidamide is sourced from PubChem (CID 174084057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).