methane;3-methoxypropyl(trimethyl)azanium

C14H46NO+ — CID 159181056

IUPACmethane;3-methoxypropyl(trimethyl)azanium
SMILESC.C.C.C.C.C.C.COCCC[N+](C)(C)C
InChIInChI=1S/C7H18NO.7CH4/c1-8(2,3)6-5-7-9-4;;;;;;;/h5-7H2,1-4H3;7*1H4/q+1;;;;;;;
InChIKeyKMWYAFFTSSNCEV-UHFFFAOYSA-N
MW244.53 g/mol
LogP5.18
Rot. Bonds4

About methane;3-methoxypropyl(trimethyl)azanium

methane;3-methoxypropyl(trimethyl)azanium (PubChem CID 159181056) has the molecular formula C14H46NO+ and a molecular weight of 244.53 g/mol. Its IUPAC name is methane;3-methoxypropyl(trimethyl)azanium.

Molecular Properties

Compound Namemethane;3-methoxypropyl(trimethyl)azanium
PubChem CID159181056
Molecular FormulaC14H46NO+
Molecular Weight244.53 g/mol
Exact Mass244.36
IUPAC Namemethane;3-methoxypropyl(trimethyl)azanium
SMILESC.C.C.C.C.C.C.COCCC[N+](C)(C)C
InChIInChI=1S/C7H18NO.7CH4/c1-8(2,3)6-5-7-9-4;;;;;;;/h5-7H2,1-4H3;7*1H4/q+1;;;;;;;
InChIKeyKMWYAFFTSSNCEV-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze methane;3-methoxypropyl(trimethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyethyl(trimethyl)azanium chloride
CID 23352174
2-(3-methoxypropylsulfanyl)ethyl-trimethylazanium
CID 170077557
tris(2-methoxyethyl)-(3-methoxypropyl)azanium
CID 71320742
tris(2-methoxyethyl)-(3-methoxypropyl)azanium iodide
CID 71320741
2-methoxyethyl(trimethyl)azanium tetrafluoroborate
CID 87222095
3-[hydroxy(methoxy)phosphoryl]oxypropyl-trimethylazanium
CID 170122908
dicarboxy-(3-methoxypropyl)-methylazanium
CID 19962705
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
3-[fluoro(methyl)phosphoryl]oxypropyl-trimethylazanium iodide
CID 16109
trimethyl-[3-(methylideneamino)oxypropyl]azanium
CID 170430877
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353

Frequently Asked Questions

What is the IUPAC name of methane;3-methoxypropyl(trimethyl)azanium?
The IUPAC name of methane;3-methoxypropyl(trimethyl)azanium (CID 159181056) is methane;3-methoxypropyl(trimethyl)azanium.
What is the SMILES notation for methane;3-methoxypropyl(trimethyl)azanium?
The canonical SMILES for methane;3-methoxypropyl(trimethyl)azanium is C.C.C.C.C.C.C.COCCC[N+](C)(C)C.
What is the InChIKey of methane;3-methoxypropyl(trimethyl)azanium?
The InChIKey is KMWYAFFTSSNCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18NO.7CH4/c1-8(2,3)6-5-7-9-4;;;;;;;/h5-7H2,1-4H3;7*1H4/q+1;;;;;;;.
What are the key properties of methane;3-methoxypropyl(trimethyl)azanium?
methane;3-methoxypropyl(trimethyl)azanium has a molecular weight of 244.53 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxypropyl(trimethyl)azanium is sourced from PubChem (CID 159181056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).