trimethyl(3,3,6,7,8-pentamethylnonyl)azanium

C17H38N+ — CID 123600184

IUPACtrimethyl(3,3,6,7,8-pentamethylnonyl)azanium
SMILESCC(C)C(C)C(C)CCC(C)(C)CC[N+](C)(C)C
InChIInChI=1S/C17H38N/c1-14(2)16(4)15(3)10-11-17(5,6)12-13-18(7,8)9/h14-16H,10-13H2,1-9H3/q+1
InChIKeyRJRXDTFMWBREIO-UHFFFAOYSA-N
MW256.50 g/mol
LogP4.82
Rot. Bonds8

About trimethyl(3,3,6,7,8-pentamethylnonyl)azanium

trimethyl(3,3,6,7,8-pentamethylnonyl)azanium (PubChem CID 123600184) has the molecular formula C17H38N+ and a molecular weight of 256.50 g/mol. Its IUPAC name is trimethyl(3,3,6,7,8-pentamethylnonyl)azanium.

Molecular Properties

Compound Nametrimethyl(3,3,6,7,8-pentamethylnonyl)azanium
PubChem CID123600184
Molecular FormulaC17H38N+
Molecular Weight256.50 g/mol
Exact Mass256.30
IUPAC Nametrimethyl(3,3,6,7,8-pentamethylnonyl)azanium
SMILESCC(C)C(C)C(C)CCC(C)(C)CC[N+](C)(C)C
InChIInChI=1S/C17H38N/c1-14(2)16(4)15(3)10-11-17(5,6)12-13-18(7,8)9/h14-16H,10-13H2,1-9H3/q+1
InChIKeyRJRXDTFMWBREIO-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.50
LogP ≤ 54.82
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

2,3,6,7,8-pentamethylnonan-3-ol
CID 20659783
ethane;2,3,6,6,9-pentamethyldecane
CID 156735822
3,3,6,7,8-pentamethylnon-1-ene
CID 123898570
3,4-dimethylpentyl(trimethyl)azanium
CID 175623518
(5R)-2,5,6-trimethylheptan-2-ol
CID 10176245
2,2,3,4,4,7,8-heptamethylnonane
CID 123795211
3,9-ditert-butyl-6,6-dimethylundecane-2,10-diol
CID 162768133
(3-hydroxy-3-methylbutyl)-trimethylazanium bromide
CID 71333434
trimethyl-(3-methyl-3-silylbutyl)azanium chloride
CID 175444852
4,7,7,10-tetramethyltridecane
CID 123261465
3-ethyl-3,6,7,8-tetramethylundecane
CID 123359808
7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114

Frequently Asked Questions

What is the IUPAC name of trimethyl(3,3,6,7,8-pentamethylnonyl)azanium?
The IUPAC name of trimethyl(3,3,6,7,8-pentamethylnonyl)azanium (CID 123600184) is trimethyl(3,3,6,7,8-pentamethylnonyl)azanium.
What is the SMILES notation for trimethyl(3,3,6,7,8-pentamethylnonyl)azanium?
The canonical SMILES for trimethyl(3,3,6,7,8-pentamethylnonyl)azanium is CC(C)C(C)C(C)CCC(C)(C)CC[N+](C)(C)C.
What is the InChIKey of trimethyl(3,3,6,7,8-pentamethylnonyl)azanium?
The InChIKey is RJRXDTFMWBREIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N/c1-14(2)16(4)15(3)10-11-17(5,6)12-13-18(7,8)9/h14-16H,10-13H2,1-9H3/q+1.
What are the key properties of trimethyl(3,3,6,7,8-pentamethylnonyl)azanium?
trimethyl(3,3,6,7,8-pentamethylnonyl)azanium has a molecular weight of 256.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3,3,6,7,8-pentamethylnonyl)azanium is sourced from PubChem (CID 123600184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).