3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide

C9H23NO — CID 134884436

IUPAC3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide
SMILESCC(C(C)(C)C)[N+](C)(C)C.[OH-]
InChIInChI=1S/C9H22N.H2O/c1-8(9(2,3)4)10(5,6)7;/h8H,1-7H3;1H2/q+1;/p-1
InChIKeyHRLKEXHLHWVZJR-UHFFFAOYSA-M
MW161.29 g/mol
LogP1.95
Rot. Bonds1

About 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide

3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide (PubChem CID 134884436) has the molecular formula C9H23NO and a molecular weight of 161.29 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide
PubChem CID134884436
Molecular FormulaC9H23NO
Molecular Weight161.29 g/mol
Exact Mass161.18
IUPAC Name3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide
SMILESCC(C(C)(C)C)[N+](C)(C)C.[OH-]
InChIInChI=1S/C9H22N.H2O/c1-8(9(2,3)4)10(5,6)7;/h8H,1-7H3;1H2/q+1;/p-1
InChIKeyHRLKEXHLHWVZJR-UHFFFAOYSA-M
XLogP1.95
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N,3,3-tetramethylbutan-2-amine
CID 20682214
N,N,2,2,4,4-hexamethylpentan-3-amine
CID 12818199
N,N-diethyl-3,3-dimethylbutan-2-amine
CID 13026721
3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
CID 20687220
3,3-dimethyl-N-propan-2-yl-N-propylbutan-1-amine
CID 57581941
N-butyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 57581946
N-tert-butyl-N,3,3-trimethylbutan-2-amine
CID 57819722
N,3,3-trimethyl-N-propan-2-ylbutan-1-amine
CID 57845661
N-ethyl-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 57845731
N,3,3-trimethyl-N-propan-2-ylbutan-2-amine
CID 58519590
2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine
CID 59066833
(2S)-N-tert-butyl-N,3,3-trimethylbutan-2-amine
CID 59607895

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide?
The IUPAC name of 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide (CID 134884436) is 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide.
What is the SMILES notation for 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide?
The canonical SMILES for 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide is CC(C(C)(C)C)[N+](C)(C)C.[OH-].
What is the InChIKey of 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide?
The InChIKey is HRLKEXHLHWVZJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22N.H2O/c1-8(9(2,3)4)10(5,6)7;/h8H,1-7H3;1H2/q+1;/p-1.
What are the key properties of 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide?
3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide has a molecular weight of 161.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-yl(trimethyl)azanium hydroxide is sourced from PubChem (CID 134884436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).