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

C4H9N3O — CID 59930827

IUPACN-(2-amino-2-iminoethyl)acetamide
SMILES[H]/N=C(\N)CNC(C)=O
InChIInChI=1S/C4H9N3O/c1-3(8)7-2-4(5)6/h2H2,1H3,(H3,5,6)(H,7,8)
InChIKeyCZSVYVUHLDMMST-UHFFFAOYSA-N
MW115.14 g/mol
LogP-0.94
Rot. Bonds2

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

N-(2-amino-2-iminoethyl)acetamide (PubChem CID 59930827) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is N-(2-amino-2-iminoethyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-iminoethyl)acetamide
PubChem CID59930827
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC NameN-(2-amino-2-iminoethyl)acetamide
SMILES[H]/N=C(\N)CNC(C)=O
InChIInChI=1S/C4H9N3O/c1-3(8)7-2-4(5)6/h2H2,1H3,(H3,5,6)(H,7,8)
InChIKeyCZSVYVUHLDMMST-UHFFFAOYSA-N
XLogP-0.94
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-0.94
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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Related Compounds

N-[2-[(2-amino-2-iminoethyl)amino]ethyl]-2,2,2-trifluoroacetamide
CID 22142989
2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide
CID 131223001
N-[2-(1-aminoethylideneamino)ethyl]acetamide
CID 23394281
N-(2-amino-2-hydrazinylideneethyl)acetamide
CID 53765598
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)acetamide
CID 54399781
N-[2-[ethanimidoyl(methyl)amino]ethyl]acetamide
CID 60082562
2-(1-aminoethylideneamino)-N-propylacetamide
CID 63173609
N-[2-(1-aminopropylideneamino)ethyl]acetamide
CID 63175662
N-(2-amino-2-iminoethyl)acetamide;hydrochloride
CID 82594936
N-(2-carbamimidoylethyl)acetamide
CID 82597015
N-[(2E)-2-amino-2-hydrazinylideneethyl]acetamide
CID 88501262
2-amino-N-ethyl-2-iminoacetamide
CID 90785423

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-iminoethyl)acetamide?
The IUPAC name of N-(2-amino-2-iminoethyl)acetamide (CID 59930827) is N-(2-amino-2-iminoethyl)acetamide.
What is the SMILES notation for N-(2-amino-2-iminoethyl)acetamide?
The canonical SMILES for N-(2-amino-2-iminoethyl)acetamide is [H]/N=C(\N)CNC(C)=O.
What is the InChIKey of N-(2-amino-2-iminoethyl)acetamide?
The InChIKey is CZSVYVUHLDMMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-3(8)7-2-4(5)6/h2H2,1H3,(H3,5,6)(H,7,8).
What are the key properties of N-(2-amino-2-iminoethyl)acetamide?
N-(2-amino-2-iminoethyl)acetamide has a molecular weight of 115.14 g/mol, XLogP of -0.94, 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 is sourced from PubChem (CID 59930827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).