trimethyl(2-propan-2-ylpentyl)azanium

C11H26N+ — CID 144731918

IUPACtrimethyl(2-propan-2-ylpentyl)azanium
SMILESCCCC(C[N+](C)(C)C)C(C)C
InChIInChI=1S/C11H26N/c1-7-8-11(10(2)3)9-12(4,5)6/h10-11H,7-9H2,1-6H3/q+1
InChIKeyCUFBFIHLXILLCI-UHFFFAOYSA-N
MW172.34 g/mol
LogP2.76
Rot. Bonds5

About trimethyl(2-propan-2-ylpentyl)azanium

trimethyl(2-propan-2-ylpentyl)azanium (PubChem CID 144731918) has the molecular formula C11H26N+ and a molecular weight of 172.34 g/mol. Its IUPAC name is trimethyl(2-propan-2-ylpentyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-propan-2-ylpentyl)azanium
PubChem CID144731918
Molecular FormulaC11H26N+
Molecular Weight172.34 g/mol
Exact Mass172.21
IUPAC Nametrimethyl(2-propan-2-ylpentyl)azanium
SMILESCCCC(C[N+](C)(C)C)C(C)C
InChIInChI=1S/C11H26N/c1-7-8-11(10(2)3)9-12(4,5)6/h10-11H,7-9H2,1-6H3/q+1
InChIKeyCUFBFIHLXILLCI-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 52.76
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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Related Compounds

(3R)-3-ethyl-2-methylhexane
CID 59954424
2-methyl-4-propan-2-ylheptane
CID 21201044
ethane;2-propan-2-ylpentan-1-amine
CID 153346460
(2-ethyl-3-methylpentyl)-trimethylazanium
CID 88887773
3-ethyl-2-methyl-7-propan-2-yldecane
CID 58999360
5-propan-2-yloctan-2-ol
CID 123351457
4-propan-2-yldecane
CID 15038736
4-ethyl-2-methyl-3-propan-2-ylheptane
CID 57491433
4,5-diethyloctane
CID 519254
ethane;4-ethyl-2,3-dimethylheptane
CID 142330758
N-methyl-4-propan-2-ylheptan-1-amine
CID 139333212
2,2-difluoro-5-propan-2-yloctane
CID 175620292

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-propan-2-ylpentyl)azanium?
The IUPAC name of trimethyl(2-propan-2-ylpentyl)azanium (CID 144731918) is trimethyl(2-propan-2-ylpentyl)azanium.
What is the SMILES notation for trimethyl(2-propan-2-ylpentyl)azanium?
The canonical SMILES for trimethyl(2-propan-2-ylpentyl)azanium is CCCC(C[N+](C)(C)C)C(C)C.
What is the InChIKey of trimethyl(2-propan-2-ylpentyl)azanium?
The InChIKey is CUFBFIHLXILLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N/c1-7-8-11(10(2)3)9-12(4,5)6/h10-11H,7-9H2,1-6H3/q+1.
What are the key properties of trimethyl(2-propan-2-ylpentyl)azanium?
trimethyl(2-propan-2-ylpentyl)azanium has a molecular weight of 172.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-propan-2-ylpentyl)azanium is sourced from PubChem (CID 144731918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).