2-[(1-amino-1-iminopropan-2-yl)amino]acetamide

C5H12N4O — CID 123994136

IUPAC2-[(1-amino-1-iminopropan-2-yl)amino]acetamide
SMILES[H]/N=C(\N)C(C)NCC(N)=O
InChIInChI=1S/C5H12N4O/c1-3(5(7)8)9-2-4(6)10/h3,9H,2H2,1H3,(H2,6,10)(H3,7,8)
InChIKeyBGXCFQHLMMDZPM-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.61
Rot. Bonds4

About 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide

2-[(1-amino-1-iminopropan-2-yl)amino]acetamide (PubChem CID 123994136) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(1-amino-1-iminopropan-2-yl)amino]acetamide
PubChem CID123994136
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name2-[(1-amino-1-iminopropan-2-yl)amino]acetamide
SMILES[H]/N=C(\N)C(C)NCC(N)=O
InChIInChI=1S/C5H12N4O/c1-3(5(7)8)9-2-4(6)10/h3,9H,2H2,1H3,(H2,6,10)(H3,7,8)
InChIKeyBGXCFQHLMMDZPM-UHFFFAOYSA-N
XLogP-1.61
TPSA104.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

3-amino-2-[(2-amino-2-oxoethyl)amino]-3-imino-N-methylpropanamide
CID 123166598
3-Amino-2-[(2-amino-2-oxoethyl)amino]-3-iminopropanamide
CID 123374487
2,3-diamino-3-imino-N-methylpropanamide
CID 123527174
3-amino-2-(2-aminoethylamino)-3-imino-N-methylpropanamide
CID 123532737
N-(1-amino-1,3-diiminopropan-2-yl)acetamide
CID 123709367
(2S)-2-[(2-amino-2-ethyliminoethyl)amino]propanamide
CID 144018622
2-[(2-amino-2-iminoethyl)amino]-N-methylacetamide
CID 169572942
N-(1-amino-1-iminopropan-2-yl)acetamide
CID 172748430
2-[(1-Amino-1-hydroxyiminobutan-2-yl)amino]acetamide
CID 77028105
2-[(1-Amino-1-hydroxyiminopropan-2-yl)amino]acetamide
CID 77028314
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-methylacetamide
CID 77028579
2-[(2-Amino-2-hydroxyiminoethyl)amino]propanamide
CID 77029415

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide?
The IUPAC name of 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide (CID 123994136) is 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide?
The canonical SMILES for 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide is [H]/N=C(\N)C(C)NCC(N)=O.
What is the InChIKey of 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide?
The InChIKey is BGXCFQHLMMDZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-3(5(7)8)9-2-4(6)10/h3,9H,2H2,1H3,(H2,6,10)(H3,7,8).
What are the key properties of 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide?
2-[(1-amino-1-iminopropan-2-yl)amino]acetamide has a molecular weight of 144.18 g/mol, XLogP of -1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-iminopropan-2-yl)amino]acetamide is sourced from PubChem (CID 123994136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).