N-(2-amino-2-iminoethyl)acetamide;hydrochloride

C4H10ClN3O — CID 82594936

IUPACN-(2-amino-2-iminoethyl)acetamide;hydrochloride
SMILESCl.[H]/N=C(\N)CNC(C)=O
InChIInChI=1S/C4H9N3O.ClH/c1-3(8)7-2-4(5)6;/h2H2,1H3,(H3,5,6)(H,7,8);1H
InChIKeyNHUIFVGSBTXPOH-UHFFFAOYSA-N
MW151.60 g/mol
LogP-0.52
Rot. Bonds2

About N-(2-amino-2-iminoethyl)acetamide;hydrochloride

N-(2-amino-2-iminoethyl)acetamide;hydrochloride (PubChem CID 82594936) has the molecular formula C4H10ClN3O and a molecular weight of 151.60 g/mol. Its IUPAC name is N-(2-amino-2-iminoethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-iminoethyl)acetamide;hydrochloride
PubChem CID82594936
Molecular FormulaC4H10ClN3O
Molecular Weight151.60 g/mol
Exact Mass151.05
IUPAC NameN-(2-amino-2-iminoethyl)acetamide;hydrochloride
SMILESCl.[H]/N=C(\N)CNC(C)=O
InChIInChI=1S/C4H9N3O.ClH/c1-3(8)7-2-4(5)6;/h2H2,1H3,(H3,5,6)(H,7,8);1H
InChIKeyNHUIFVGSBTXPOH-UHFFFAOYSA-N
XLogP-0.52
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
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-amino-2-iminoethyl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-iminoethyl)acetamide;hydrochloride (CID 82594936) is N-(2-amino-2-iminoethyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-iminoethyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-iminoethyl)acetamide;hydrochloride is Cl.[H]/N=C(\N)CNC(C)=O.
What is the InChIKey of N-(2-amino-2-iminoethyl)acetamide;hydrochloride?
The InChIKey is NHUIFVGSBTXPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O.ClH/c1-3(8)7-2-4(5)6;/h2H2,1H3,(H3,5,6)(H,7,8);1H.
What are the key properties of N-(2-amino-2-iminoethyl)acetamide;hydrochloride?
N-(2-amino-2-iminoethyl)acetamide;hydrochloride has a molecular weight of 151.60 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-iminoethyl)acetamide;hydrochloride is sourced from PubChem (CID 82594936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).