N'-(2-aminoethyl)-N-cyanoethanimidamide

C5H10N4 — CID 55285110

IUPACN'-(2-aminoethyl)-N-cyanoethanimidamide
SMILESC/C(=N\CCN)NC#N
InChIInChI=1S/C5H10N4/c1-5(9-4-7)8-3-2-6/h2-3,6H2,1H3,(H,8,9)
InChIKeyUXLZWXAGGWFBEK-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.57
Rot. Bonds2

About N'-(2-aminoethyl)-N-cyanoethanimidamide

N'-(2-aminoethyl)-N-cyanoethanimidamide (PubChem CID 55285110) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N-cyanoethanimidamide.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N-cyanoethanimidamide
PubChem CID55285110
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN'-(2-aminoethyl)-N-cyanoethanimidamide
SMILESC/C(=N\CCN)NC#N
InChIInChI=1S/C5H10N4/c1-5(9-4-7)8-3-2-6/h2-3,6H2,1H3,(H,8,9)
InChIKeyUXLZWXAGGWFBEK-UHFFFAOYSA-N
XLogP-0.57
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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)-N-cyanoethanimidamide?
The IUPAC name of N'-(2-aminoethyl)-N-cyanoethanimidamide (CID 55285110) is N'-(2-aminoethyl)-N-cyanoethanimidamide.
What is the SMILES notation for N'-(2-aminoethyl)-N-cyanoethanimidamide?
The canonical SMILES for N'-(2-aminoethyl)-N-cyanoethanimidamide is C/C(=N\CCN)NC#N.
What is the InChIKey of N'-(2-aminoethyl)-N-cyanoethanimidamide?
The InChIKey is UXLZWXAGGWFBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(9-4-7)8-3-2-6/h2-3,6H2,1H3,(H,8,9).
What are the key properties of N'-(2-aminoethyl)-N-cyanoethanimidamide?
N'-(2-aminoethyl)-N-cyanoethanimidamide has a molecular weight of 126.16 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N-cyanoethanimidamide is sourced from PubChem (CID 55285110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).