2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine

C11H26N2O2 — CID 144602464

IUPAC2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine
SMILESCC(C)(C)OO.CNC1CCCCC1N
InChIInChI=1S/C7H16N2.C4H10O2/c1-9-7-5-3-2-4-6(7)8;1-4(2,3)6-5/h6-7,9H,2-5,8H2,1H3;5H,1-3H3
InChIKeyAPGRQWGUHGXQLX-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.75
Rot. Bonds1

About 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine

2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine (PubChem CID 144602464) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine
PubChem CID144602464
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine
SMILESCC(C)(C)OO.CNC1CCCCC1N
InChIInChI=1S/C7H16N2.C4H10O2/c1-9-7-5-3-2-4-6(7)8;1-4(2,3)6-5/h6-7,9H,2-5,8H2,1H3;5H,1-3H3
InChIKeyAPGRQWGUHGXQLX-UHFFFAOYSA-N
XLogP1.75
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine
CID 55284519
trans-(1R,2R)-1-N-methylcyclopentane-1,2-diamine
CID 89035848
[(1R,2R)-2-aminocyclohexyl]methanol;[(1R,2R)-2-(methylamino)cyclohexyl]methanol
CID 169429799
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
N-(2-aminocyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603334
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
1-N,2-N-dimethylcycloheptane-1,2-diamine
CID 20652987
N-(2-aminocyclohexyl)-3-methoxy-3-methylbutanamide
CID 103021379
tert-butyl 4-[[(1R,2R)-2-aminocyclohexyl]amino]piperidine-1-carboxylate
CID 59991040
trans-(1R,2R)-2-N-phosphanylcyclohexane-1,2-diamine
CID 138625966

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine (CID 144602464) is 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine is CC(C)(C)OO.CNC1CCCCC1N.
What is the InChIKey of 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine?
The InChIKey is APGRQWGUHGXQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C4H10O2/c1-9-7-5-3-2-4-6(7)8;1-4(2,3)6-5/h6-7,9H,2-5,8H2,1H3;5H,1-3H3.
What are the key properties of 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine?
2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 1.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-2-methylpropane;2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 144602464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).