3-(methoxymethyl)pentyl-methyl-dipropylazanium

C14H32NO+ — CID 20714788

IUPAC3-(methoxymethyl)pentyl-methyl-dipropylazanium
SMILESCCC[N+](C)(CCC)CCC(CC)COC
InChIInChI=1S/C14H32NO/c1-6-10-15(4,11-7-2)12-9-14(8-3)13-16-5/h14H,6-13H2,1-5H3/q+1
InChIKeySTXLQPFUKCBVEG-UHFFFAOYSA-N
MW230.42 g/mol
LogP3.32
Rot. Bonds10

About 3-(methoxymethyl)pentyl-methyl-dipropylazanium

3-(methoxymethyl)pentyl-methyl-dipropylazanium (PubChem CID 20714788) has the molecular formula C14H32NO+ and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-(methoxymethyl)pentyl-methyl-dipropylazanium.

Molecular Properties

Compound Name3-(methoxymethyl)pentyl-methyl-dipropylazanium
PubChem CID20714788
Molecular FormulaC14H32NO+
Molecular Weight230.42 g/mol
Exact Mass230.25
IUPAC Name3-(methoxymethyl)pentyl-methyl-dipropylazanium
SMILESCCC[N+](C)(CCC)CCC(CC)COC
InChIInChI=1S/C14H32NO/c1-6-10-15(4,11-7-2)12-9-14(8-3)13-16-5/h14H,6-13H2,1-5H3/q+1
InChIKeySTXLQPFUKCBVEG-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.32
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

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
n-(Butoxymethyl)-2-ethyl-n-(2-ethylhexyl)hexan-1-amine
CID 222922
3,6,10,13-Tetramethyl-1-oxa-6,10-diazacyclotetradecane
CID 15420794
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-(Methoxymethyl)pentyl-trimethylazanium
CID 20714785
(3-Ethyl-5-methoxypentyl)-methyl-dipropylazanium
CID 20714787
N,N-diethyl-3-(methoxymethyl)pentan-1-amine
CID 20714790

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)pentyl-methyl-dipropylazanium?
The IUPAC name of 3-(methoxymethyl)pentyl-methyl-dipropylazanium (CID 20714788) is 3-(methoxymethyl)pentyl-methyl-dipropylazanium.
What is the SMILES notation for 3-(methoxymethyl)pentyl-methyl-dipropylazanium?
The canonical SMILES for 3-(methoxymethyl)pentyl-methyl-dipropylazanium is CCC[N+](C)(CCC)CCC(CC)COC.
What is the InChIKey of 3-(methoxymethyl)pentyl-methyl-dipropylazanium?
The InChIKey is STXLQPFUKCBVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32NO/c1-6-10-15(4,11-7-2)12-9-14(8-3)13-16-5/h14H,6-13H2,1-5H3/q+1.
What are the key properties of 3-(methoxymethyl)pentyl-methyl-dipropylazanium?
3-(methoxymethyl)pentyl-methyl-dipropylazanium has a molecular weight of 230.42 g/mol, XLogP of 3.32, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)pentyl-methyl-dipropylazanium is sourced from PubChem (CID 20714788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).