2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine

C9H20N2O — CID 22466047

IUPAC2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine
SMILESCC1(C)C[NH+]([O-])C(C)(C)CC1N
InChIInChI=1S/C9H20N2O/c1-8(2)6-11(12)9(3,4)5-7(8)10/h7,11H,5-6,10H2,1-4H3
InChIKeyGTUNTTKBTFLUOZ-UHFFFAOYSA-N
MW172.27 g/mol
LogP-0.10
Rot. Bonds

About 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine

2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine (PubChem CID 22466047) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine
PubChem CID22466047
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine
SMILESCC1(C)C[NH+]([O-])C(C)(C)CC1N
InChIInChI=1S/C9H20N2O/c1-8(2)6-11(12)9(3,4)5-7(8)10/h7,11H,5-6,10H2,1-4H3
InChIKeyGTUNTTKBTFLUOZ-UHFFFAOYSA-N
XLogP-0.10
TPSA53.52 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylcyclopropane-1,2-diamine
CID 15182447
1,4,4-trimethylcyclopentane-1,3-diamine
CID 112757488
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
2,2-dimethylcyclohexane-1,4-diamine
CID 20547249
2,2,4,4,7,7-hexamethylazocan-5-amine
CID 130312303
2-ethyl-2-methylcyclopropan-1-amine
CID 62389905
CID 100937332
CID 100937332
3,3-dimethylcyclobutan-1-amine
CID 14988402
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
5,5,7,7-tetramethylspiro[2.5]octan-2-amine
CID 103961210
trimethyl-(2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium-4-yl)azanium iodide
CID 133109343

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine?
The IUPAC name of 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine (CID 22466047) is 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine is CC1(C)C[NH+]([O-])C(C)(C)CC1N.
What is the InChIKey of 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine?
The InChIKey is GTUNTTKBTFLUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)6-11(12)9(3,4)5-7(8)10/h7,11H,5-6,10H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine?
2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine has a molecular weight of 172.27 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-1-oxidopiperidin-1-ium-4-amine is sourced from PubChem (CID 22466047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).