1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide

C10H22N2O4 — CID 163629555

IUPAC1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide
SMILESCCC1([NH+]([O-])O)CCCCC1(CC)[NH+]([O-])O
InChIInChI=1S/C10H22N2O4/c1-3-9(11(13)14)7-5-6-8-10(9,4-2)12(15)16/h11-13,15H,3-8H2,1-2H3
InChIKeyHUXDSGNTTICRHB-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.60
Rot. Bonds4

About 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide

1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide (PubChem CID 163629555) has the molecular formula C10H22N2O4 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide.

Molecular Properties

Compound Name1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide
PubChem CID163629555
Molecular FormulaC10H22N2O4
Molecular Weight234.30 g/mol
Exact Mass234.16
IUPAC Name1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide
SMILESCCC1([NH+]([O-])O)CCCCC1(CC)[NH+]([O-])O
InChIInChI=1S/C10H22N2O4/c1-3-9(11(13)14)7-5-6-8-10(9,4-2)12(15)16/h11-13,15H,3-8H2,1-2H3
InChIKeyHUXDSGNTTICRHB-UHFFFAOYSA-N
XLogP-0.60
TPSA95.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide?
The IUPAC name of 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide (CID 163629555) is 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide.
What is the SMILES notation for 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide?
The canonical SMILES for 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide is CCC1([NH+]([O-])O)CCCCC1(CC)[NH+]([O-])O.
What is the InChIKey of 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide?
The InChIKey is HUXDSGNTTICRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4/c1-3-9(11(13)14)7-5-6-8-10(9,4-2)12(15)16/h11-13,15H,3-8H2,1-2H3.
What are the key properties of 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide?
1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide has a molecular weight of 234.30 g/mol, XLogP of -0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-1-N,2-N-dihydroxycyclohexane-1,2-diamine oxide is sourced from PubChem (CID 163629555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).