prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride

C13H30ClNO — CID 174834513

IUPACprop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride
SMILESC=CC.CCCCCOCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H24NO.C3H6.ClH/c1-5-6-7-9-12-10-8-11(2,3)4;1-3-2;/h5-10H2,1-4H3;3H,1H2,2H3;1H/q+1;;/p-1
InChIKeyWNDRBPUZCFTWNE-UHFFFAOYSA-M
MW251.84 g/mol
LogP0.10
Rot. Bonds7

About prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride

prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride (PubChem CID 174834513) has the molecular formula C13H30ClNO and a molecular weight of 251.84 g/mol. Its IUPAC name is prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride.

Molecular Properties

Compound Nameprop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride
PubChem CID174834513
Molecular FormulaC13H30ClNO
Molecular Weight251.84 g/mol
Exact Mass251.20
IUPAC Nameprop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride
SMILESC=CC.CCCCCOCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H24NO.C3H6.ClH/c1-5-6-7-9-12-10-8-11(2,3)4;1-3-2;/h5-10H2,1-4H3;3H,1H2,2H3;1H/q+1;;/p-1
InChIKeyWNDRBPUZCFTWNE-UHFFFAOYSA-M
XLogP0.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.84
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trimethyl(2-octoxyethyl)azanium bromide
CID 158985306
phosphorous acid;trimethyl(2-octadecoxyethyl)azanium
CID 174575298
buta-1,3-diene;1-pentoxypentane
CID 87924219
1-hexoxyhexane;yttrium
CID 87066735
trimethyl-[2-[methyl(2-tridecoxyethoxy)phosphoryl]oxyethyl]azanium
CID 91488158
2-(2-octadecoxyethoxy)ethyl-tripropylazanium chloride
CID 88506808
3-iodoprop-1-ene;1-pentoxypentane
CID 87527581
2-[2-(1-hexadecoxy-2-hydroxypropan-2-yl)oxyethoxy]ethyl-trimethylazanium
CID 88645401
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180

Frequently Asked Questions

What is the IUPAC name of prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride?
The IUPAC name of prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride (CID 174834513) is prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride.
What is the SMILES notation for prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride?
The canonical SMILES for prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride is C=CC.CCCCCOCC[N+](C)(C)C.[Cl-].
What is the InChIKey of prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride?
The InChIKey is WNDRBPUZCFTWNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H24NO.C3H6.ClH/c1-5-6-7-9-12-10-8-11(2,3)4;1-3-2;/h5-10H2,1-4H3;3H,1H2,2H3;1H/q+1;;/p-1.
What are the key properties of prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride?
prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride has a molecular weight of 251.84 g/mol, XLogP of 0.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-ene;trimethyl(2-pentoxyethyl)azanium;chloride is sourced from PubChem (CID 174834513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).