2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride

C12H27ClN6O2 — CID 18769831

IUPAC2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride
SMILESCC(C)(/N=N/C(C)(C)/C(N)=N/CCO)/C(N)=N/CCO.Cl
InChIInChI=1S/C12H26N6O2.ClH/c1-11(2,9(13)15-5-7-19)17-18-12(3,4)10(14)16-6-8-20;/h19-20H,5-8H2,1-4H3,(H2,13,15)(H2,14,16);1H/b18-17+;
InChIKeyQENKCPBVYWSVIE-ZAGWXBKKSA-N
MW322.84 g/mol
LogP0.12
Rot. Bonds8

About 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride

2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride (PubChem CID 18769831) has the molecular formula C12H27ClN6O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride
PubChem CID18769831
Molecular FormulaC12H27ClN6O2
Molecular Weight322.84 g/mol
Exact Mass322.19
IUPAC Name2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride
SMILESCC(C)(/N=N/C(C)(C)/C(N)=N/CCO)/C(N)=N/CCO.Cl
InChIInChI=1S/C12H26N6O2.ClH/c1-11(2,9(13)15-5-7-19)17-18-12(3,4)10(14)16-6-8-20;/h19-20H,5-8H2,1-4H3,(H2,13,15)(H2,14,16);1H/b18-17+;
InChIKeyQENKCPBVYWSVIE-ZAGWXBKKSA-N
XLogP0.12
TPSA141.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride?
The IUPAC name of 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride (CID 18769831) is 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride.
What is the SMILES notation for 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride?
The canonical SMILES for 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride is CC(C)(/N=N/C(C)(C)/C(N)=N/CCO)/C(N)=N/CCO.Cl.
What is the InChIKey of 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride?
The InChIKey is QENKCPBVYWSVIE-ZAGWXBKKSA-N. The full InChI is InChI=1S/C12H26N6O2.ClH/c1-11(2,9(13)15-5-7-19)17-18-12(3,4)10(14)16-6-8-20;/h19-20H,5-8H2,1-4H3,(H2,13,15)(H2,14,16);1H/b18-17+;.
What are the key properties of 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride?
2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 0.12, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-amino-1-(2-hydroxyethylimino)-2-methylpropan-2-yl]diazenyl]-N'-(2-hydroxyethyl)-2-methylpropanimidamide;hydrochloride is sourced from PubChem (CID 18769831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).