3-(methoxymethyl)pentyl-trimethylazanium

C10H24NO+ — CID 20714785

IUPAC3-(methoxymethyl)pentyl-trimethylazanium
SMILESCCC(CC[N+](C)(C)C)COC
InChIInChI=1S/C10H24NO/c1-6-10(9-12-5)7-8-11(2,3)4/h10H,6-9H2,1-5H3/q+1
InChIKeyIEOVAHOVSQVKQC-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.76
Rot. Bonds6

About 3-(methoxymethyl)pentyl-trimethylazanium

3-(methoxymethyl)pentyl-trimethylazanium (PubChem CID 20714785) has the molecular formula C10H24NO+ and a molecular weight of 174.31 g/mol. Its IUPAC name is 3-(methoxymethyl)pentyl-trimethylazanium.

Molecular Properties

Compound Name3-(methoxymethyl)pentyl-trimethylazanium
PubChem CID20714785
Molecular FormulaC10H24NO+
Molecular Weight174.31 g/mol
Exact Mass174.19
IUPAC Name3-(methoxymethyl)pentyl-trimethylazanium
SMILESCCC(CC[N+](C)(C)C)COC
InChIInChI=1S/C10H24NO/c1-6-10(9-12-5)7-8-11(2,3)4/h10H,6-9H2,1-5H3/q+1
InChIKeyIEOVAHOVSQVKQC-UHFFFAOYSA-N
XLogP1.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.76
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

Dimethyl-(tetrahydro-pyran-4-ylmethyl)-amine
CID 58118759
4-(Dimethylamino)-2-ethylbutan-1-ol
CID 117866045
1-(2-Fluoro-2-methylpropyl)-4-(methoxymethyl)piperidine
CID 126749522
3-fluoro-3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 143182328
4-(4-Methylpiperidin-1-yl)butyl hypofluorite
CID 174317127
3-ethyl-5-methoxy-N,N-dimethylpentan-1-amine
CID 20714780
3-ethyl-5-methoxy-N,N-dipropylpentan-1-amine
CID 20714781
3-(methoxymethyl)-N,N-dimethylpentan-1-amine
CID 20714783
(3-Ethyl-5-methoxypentyl)-trimethylazanium
CID 20714784
(3-Ethyl-5-methoxypentyl)-methyl-dipropylazanium
CID 20714787
3-(Methoxymethyl)pentyl-methyl-dipropylazanium
CID 20714788
N,N-diethyl-3-(methoxymethyl)pentan-1-amine
CID 20714790

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pentyl-trimethylazanium?
The IUPAC name of 3-(methoxymethyl)pentyl-trimethylazanium (CID 20714785) is 3-(methoxymethyl)pentyl-trimethylazanium.
What is the SMILES notation for 3-(methoxymethyl)pentyl-trimethylazanium?
The canonical SMILES for 3-(methoxymethyl)pentyl-trimethylazanium is CCC(CC[N+](C)(C)C)COC.
What is the InChIKey of 3-(methoxymethyl)pentyl-trimethylazanium?
The InChIKey is IEOVAHOVSQVKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO/c1-6-10(9-12-5)7-8-11(2,3)4/h10H,6-9H2,1-5H3/q+1.
What are the key properties of 3-(methoxymethyl)pentyl-trimethylazanium?
3-(methoxymethyl)pentyl-trimethylazanium has a molecular weight of 174.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pentyl-trimethylazanium is sourced from PubChem (CID 20714785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).