3,3-dimethylbutyl(trimethyl)azanium

C9H22N+ — CID 58974852

IUPAC3,3-dimethylbutyl(trimethyl)azanium
SMILESCC(C)(C)CC[N+](C)(C)C
InChIInChI=1S/C9H22N/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/q+1
InChIKeyKWNRMZTYZXAGOB-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.13
Rot. Bonds2

About 3,3-dimethylbutyl(trimethyl)azanium

3,3-dimethylbutyl(trimethyl)azanium (PubChem CID 58974852) has the molecular formula C9H22N+ and a molecular weight of 144.28 g/mol. Its IUPAC name is 3,3-dimethylbutyl(trimethyl)azanium.

Molecular Properties

Compound Name3,3-dimethylbutyl(trimethyl)azanium
PubChem CID58974852
Molecular FormulaC9H22N+
Molecular Weight144.28 g/mol
Exact Mass144.17
IUPAC Name3,3-dimethylbutyl(trimethyl)azanium
SMILESCC(C)(C)CC[N+](C)(C)C
InChIInChI=1S/C9H22N/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/q+1
InChIKeyKWNRMZTYZXAGOB-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutyl(trimethyl)azanium?
The IUPAC name of 3,3-dimethylbutyl(trimethyl)azanium (CID 58974852) is 3,3-dimethylbutyl(trimethyl)azanium.
What is the SMILES notation for 3,3-dimethylbutyl(trimethyl)azanium?
The canonical SMILES for 3,3-dimethylbutyl(trimethyl)azanium is CC(C)(C)CC[N+](C)(C)C.
What is the InChIKey of 3,3-dimethylbutyl(trimethyl)azanium?
The InChIKey is KWNRMZTYZXAGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/q+1.
What are the key properties of 3,3-dimethylbutyl(trimethyl)azanium?
3,3-dimethylbutyl(trimethyl)azanium has a molecular weight of 144.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutyl(trimethyl)azanium is sourced from PubChem (CID 58974852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).