2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride

C8H16ClN3O2 — CID 174780636

IUPAC2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride
SMILESCl.NC(=O)C(=O)N(N)C1CCCCC1
InChIInChI=1S/C8H15N3O2.ClH/c9-7(12)8(13)11(10)6-4-2-1-3-5-6;/h6H,1-5,10H2,(H2,9,12);1H
InChIKeyVNSXRCWYWJSPLV-UHFFFAOYSA-N
MW221.69 g/mol
LogP-0.07
Rot. Bonds1

About 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride

2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride (PubChem CID 174780636) has the molecular formula C8H16ClN3O2 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride.

Molecular Properties

Compound Name2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride
PubChem CID174780636
Molecular FormulaC8H16ClN3O2
Molecular Weight221.69 g/mol
Exact Mass221.09
IUPAC Name2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride
SMILESCl.NC(=O)C(=O)N(N)C1CCCCC1
InChIInChI=1S/C8H15N3O2.ClH/c9-7(12)8(13)11(10)6-4-2-1-3-5-6;/h6H,1-5,10H2,(H2,9,12);1H
InChIKeyVNSXRCWYWJSPLV-UHFFFAOYSA-N
XLogP-0.07
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylacetohydrazide
CID 89012430
1,3-diamino-1-cycloheptylurea
CID 174613757
1-amino-1-cyclohexylguanidine
CID 140973086
1-cyclooctyl-1-methylurea
CID 126989312
1-carbamothioyl-1-cyclohexylurea
CID 175078578
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
N,N'-diamino-N-cyclohexylethanimidamide
CID 142855232
1-cyclohexyl-1-cyclopropylhydrazine
CID 22132585
2-[(2-cyclohexyl-2-oxoethyl)-cyclopentylamino]acetamide
CID 104750474
N-carbamoyl-N-cyclohexylsulfamoyl chloride
CID 172847013
(2S)-2-[amino(cyclohexyl)amino]propanoic acid
CID 54156579
3-cyclohexyl-2-methylbut-2-enamide
CID 70347736

Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride?
The IUPAC name of 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride (CID 174780636) is 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride.
What is the SMILES notation for 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride?
The canonical SMILES for 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride is Cl.NC(=O)C(=O)N(N)C1CCCCC1.
What is the InChIKey of 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride?
The InChIKey is VNSXRCWYWJSPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2.ClH/c9-7(12)8(13)11(10)6-4-2-1-3-5-6;/h6H,1-5,10H2,(H2,9,12);1H.
What are the key properties of 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride?
2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride has a molecular weight of 221.69 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyclohexyl)amino]-2-oxoacetamide;hydrochloride is sourced from PubChem (CID 174780636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).