3-methoxypentyl(trimethyl)azanium

C9H22NO+ — CID 59075018

IUPAC3-methoxypentyl(trimethyl)azanium
SMILESCCC(CC[N+](C)(C)C)OC
InChIInChI=1S/C9H22NO/c1-6-9(11-5)7-8-10(2,3)4/h9H,6-8H2,1-5H3/q+1
InChIKeyODCBOJWIQKKZGF-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.51
Rot. Bonds5

About 3-methoxypentyl(trimethyl)azanium

3-methoxypentyl(trimethyl)azanium (PubChem CID 59075018) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is 3-methoxypentyl(trimethyl)azanium.

Molecular Properties

Compound Name3-methoxypentyl(trimethyl)azanium
PubChem CID59075018
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Name3-methoxypentyl(trimethyl)azanium
SMILESCCC(CC[N+](C)(C)C)OC
InChIInChI=1S/C9H22NO/c1-6-9(11-5)7-8-10(2,3)4/h9H,6-8H2,1-5H3/q+1
InChIKeyODCBOJWIQKKZGF-UHFFFAOYSA-N
XLogP1.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 3-methoxypentyl(trimethyl)azanium?
The IUPAC name of 3-methoxypentyl(trimethyl)azanium (CID 59075018) is 3-methoxypentyl(trimethyl)azanium.
What is the SMILES notation for 3-methoxypentyl(trimethyl)azanium?
The canonical SMILES for 3-methoxypentyl(trimethyl)azanium is CCC(CC[N+](C)(C)C)OC.
What is the InChIKey of 3-methoxypentyl(trimethyl)azanium?
The InChIKey is ODCBOJWIQKKZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-6-9(11-5)7-8-10(2,3)4/h9H,6-8H2,1-5H3/q+1.
What are the key properties of 3-methoxypentyl(trimethyl)azanium?
3-methoxypentyl(trimethyl)azanium has a molecular weight of 160.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypentyl(trimethyl)azanium is sourced from PubChem (CID 59075018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).