2-(2-aminoethylimino)propanamide

C5H11N3O — CID 57269019

IUPAC2-(2-aminoethylimino)propanamide
SMILESC/C(=N\CCN)C(N)=O
InChIInChI=1S/C5H11N3O/c1-4(5(7)9)8-3-2-6/h2-3,6H2,1H3,(H2,7,9)/b8-4+
InChIKeyQKJCHUBTOLADNR-XBXARRHUSA-N
MW129.16 g/mol
LogP-1.11
Rot. Bonds3

About 2-(2-aminoethylimino)propanamide

2-(2-aminoethylimino)propanamide (PubChem CID 57269019) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-(2-aminoethylimino)propanamide.

Molecular Properties

Compound Name2-(2-aminoethylimino)propanamide
PubChem CID57269019
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-(2-aminoethylimino)propanamide
SMILESC/C(=N\CCN)C(N)=O
InChIInChI=1S/C5H11N3O/c1-4(5(7)9)8-3-2-6/h2-3,6H2,1H3,(H2,7,9)/b8-4+
InChIKeyQKJCHUBTOLADNR-XBXARRHUSA-N
XLogP-1.11
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-Aminoethylimino)butan-2-one
CID 91261761
2-Methyliminopropanamide
CID 55289375
2-(Propan-2-ylideneamino)propanamide
CID 55290813
2-(2-Methyliminoethylimino)propanamide
CID 123340543
N-iodo-2-(propan-2-ylideneamino)acetamide
CID 143240515
(2R)-2-(propan-2-ylideneamino)propanamide
CID 144775164
2-amino-N-propan-2-ylideneacetamide
CID 172487621
N-(2-aminoethylidene)propanamide
CID 174828252
2-Propyliminopropanamide
CID 55289564
2-(Propan-2-ylideneamino)acetamide
CID 55289705

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylimino)propanamide?
The IUPAC name of 2-(2-aminoethylimino)propanamide (CID 57269019) is 2-(2-aminoethylimino)propanamide.
What is the SMILES notation for 2-(2-aminoethylimino)propanamide?
The canonical SMILES for 2-(2-aminoethylimino)propanamide is C/C(=N\CCN)C(N)=O.
What is the InChIKey of 2-(2-aminoethylimino)propanamide?
The InChIKey is QKJCHUBTOLADNR-XBXARRHUSA-N. The full InChI is InChI=1S/C5H11N3O/c1-4(5(7)9)8-3-2-6/h2-3,6H2,1H3,(H2,7,9)/b8-4+.
What are the key properties of 2-(2-aminoethylimino)propanamide?
2-(2-aminoethylimino)propanamide has a molecular weight of 129.16 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylimino)propanamide is sourced from PubChem (CID 57269019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).