N'-(2-aminoethyl)prop-2-enimidamide

C5H11N3 — CID 88827546

IUPACN'-(2-aminoethyl)prop-2-enimidamide
SMILESC=C/C(N)=N\CCN
InChIInChI=1S/C5H11N3/c1-2-5(7)8-4-3-6/h2H,1,3-4,6H2,(H2,7,8)
InChIKeyJGJJJJJIOHRDTQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.51
Rot. Bonds3

About N'-(2-aminoethyl)prop-2-enimidamide

N'-(2-aminoethyl)prop-2-enimidamide (PubChem CID 88827546) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N'-(2-aminoethyl)prop-2-enimidamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)prop-2-enimidamide
PubChem CID88827546
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN'-(2-aminoethyl)prop-2-enimidamide
SMILESC=C/C(N)=N\CCN
InChIInChI=1S/C5H11N3/c1-2-5(7)8-4-3-6/h2H,1,3-4,6H2,(H2,7,8)
InChIKeyJGJJJJJIOHRDTQ-UHFFFAOYSA-N
XLogP-0.51
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.51
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-aminoethyl)prop-2-enimidamide?
The IUPAC name of N'-(2-aminoethyl)prop-2-enimidamide (CID 88827546) is N'-(2-aminoethyl)prop-2-enimidamide.
What is the SMILES notation for N'-(2-aminoethyl)prop-2-enimidamide?
The canonical SMILES for N'-(2-aminoethyl)prop-2-enimidamide is C=C/C(N)=N\CCN.
What is the InChIKey of N'-(2-aminoethyl)prop-2-enimidamide?
The InChIKey is JGJJJJJIOHRDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-2-5(7)8-4-3-6/h2H,1,3-4,6H2,(H2,7,8).
What are the key properties of N'-(2-aminoethyl)prop-2-enimidamide?
N'-(2-aminoethyl)prop-2-enimidamide has a molecular weight of 113.16 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)prop-2-enimidamide is sourced from PubChem (CID 88827546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).