ethanimidamide;hydrate;hydrochloride

C2H9ClN2O — CID 160733537

IUPACethanimidamide;hydrate;hydrochloride
SMILESCl.O.[H]/N=C(\C)N
InChIInChI=1S/C2H6N2.ClH.H2O/c1-2(3)4;;/h1H3,(H3,3,4);1H;1H2
InChIKeyRUQQWNHQDGOHJN-UHFFFAOYSA-N
MW112.56 g/mol
LogP-0.46
Rot. Bonds

About ethanimidamide;hydrate;hydrochloride

ethanimidamide;hydrate;hydrochloride (PubChem CID 160733537) has the molecular formula C2H9ClN2O and a molecular weight of 112.56 g/mol. Its IUPAC name is ethanimidamide;hydrate;hydrochloride.

Molecular Properties

Compound Nameethanimidamide;hydrate;hydrochloride
PubChem CID160733537
Molecular FormulaC2H9ClN2O
Molecular Weight112.56 g/mol
Exact Mass112.04
IUPAC Nameethanimidamide;hydrate;hydrochloride
SMILESCl.O.[H]/N=C(\C)N
InChIInChI=1S/C2H6N2.ClH.H2O/c1-2(3)4;;/h1H3,(H3,3,4);1H;1H2
InChIKeyRUQQWNHQDGOHJN-UHFFFAOYSA-N
XLogP-0.46
TPSA81.37 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.56
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

cobalt;ethanimidamide
CID 162055614
ethanimidamide;guanidine
CID 160661984
cyclopentane;ethanimidamide
CID 158057030
ethanimidamide;propan-2-one;vanadium
CID 159949516
ethanimidamide;propan-2-one;titanium
CID 158445220
ethanimidamide;titanium(4+);tetraacetate
CID 158045448
ethanimidamide;tetrakis(2-oxopropanoate);titanium(4+)
CID 158288626
ethanediimidamide;trihydrochloride
CID 139639987
2-iminopropanimidamide
CID 174066114
phosphanylmethanimidamide;hydrate
CID 174901910
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155
2,2-dimethylpropanimidamide;hydrochloride
CID 2781880

Frequently Asked Questions

What is the IUPAC name of ethanimidamide;hydrate;hydrochloride?
The IUPAC name of ethanimidamide;hydrate;hydrochloride (CID 160733537) is ethanimidamide;hydrate;hydrochloride.
What is the SMILES notation for ethanimidamide;hydrate;hydrochloride?
The canonical SMILES for ethanimidamide;hydrate;hydrochloride is Cl.O.[H]/N=C(\C)N.
What is the InChIKey of ethanimidamide;hydrate;hydrochloride?
The InChIKey is RUQQWNHQDGOHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2.ClH.H2O/c1-2(3)4;;/h1H3,(H3,3,4);1H;1H2.
What are the key properties of ethanimidamide;hydrate;hydrochloride?
ethanimidamide;hydrate;hydrochloride has a molecular weight of 112.56 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimidamide;hydrate;hydrochloride is sourced from PubChem (CID 160733537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).