2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

C11H24NO2+ — CID 21118832

IUPAC2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[N+](C)(C)CC(C)O
InChIInChI=1S/C11H24NO2/c1-10(2)9-14-7-6-12(4,5)8-11(3)13/h11,13H,1,6-9H2,2-5H3/q+1
InChIKeyATLFAKMAQMWZSD-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.04
Rot. Bonds7

About 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium

2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (PubChem CID 21118832) has the molecular formula C11H24NO2+ and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.

Molecular Properties

Compound Name2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
PubChem CID21118832
Molecular FormulaC11H24NO2+
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium
SMILESC=C(C)COCC[N+](C)(C)CC(C)O
InChIInChI=1S/C11H24NO2/c1-10(2)9-14-7-6-12(4,5)8-11(3)13/h11,13H,1,6-9H2,2-5H3/q+1
InChIKeyATLFAKMAQMWZSD-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-Hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 111808
1-(Dipropylamino)-3-(2-methylprop-2-enoxy)propan-2-ol
CID 20203883
1-(Dimethylamino)-3-(2-methylprop-2-enoxy)propan-2-ol
CID 20203886
1-(Diethylamino)-3-(2-methylprop-2-enoxy)propan-2-ol
CID 20203893
[2-Hydroxy-3-(2-methylprop-2-enoxy)propyl]-trimethylazanium
CID 20396564
[2-Hydroxy-3-(2-methylprop-2-enoxy)propyl]-trimethylazanium bromide
CID 20396577
[2-Hydroxy-2-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride
CID 20501211
[2-Hydroxy-3-(2-methylprop-2-enoxy)propyl]-trimethylazanium chloride
CID 21975961
1-[2-Hydroxypropyl(2-prop-2-enoxypropyl)amino]propan-2-ol
CID 22483927
N-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]-2-(2-methylpropoxy)ethanamine
CID 58451787
2-Hydroxyethyl-methyl-bis(2-prop-2-enoxyethyl)azanium
CID 87091976
2-[2-Hydroxyethyl-[2-(2-methylprop-2-enoxy)ethyl]amino]ethanol
CID 87217565

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The IUPAC name of 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium (CID 21118832) is 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium.
What is the SMILES notation for 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The canonical SMILES for 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is C=C(C)COCC[N+](C)(C)CC(C)O.
What is the InChIKey of 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
The InChIKey is ATLFAKMAQMWZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2/c1-10(2)9-14-7-6-12(4,5)8-11(3)13/h11,13H,1,6-9H2,2-5H3/q+1.
What are the key properties of 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium?
2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium has a molecular weight of 202.32 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl-dimethyl-[2-(2-methylprop-2-enoxy)ethyl]azanium is sourced from PubChem (CID 21118832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).