2-acetyloxypropyl(tripropyl)azanium

C14H30NO2+ — CID 24833508

IUPAC2-acetyloxypropyl(tripropyl)azanium
SMILESCCC[N+](CCC)(CCC)CC(C)OC(C)=O
InChIInChI=1S/C14H30NO2/c1-6-9-15(10-7-2,11-8-3)12-13(4)17-14(5)16/h13H,6-12H2,1-5H3/q+1
InChIKeyBGATZZREWKUJKF-UHFFFAOYSA-N
MW244.40 g/mol
LogP2.98
Rot. Bonds9

About 2-acetyloxypropyl(tripropyl)azanium

2-acetyloxypropyl(tripropyl)azanium (PubChem CID 24833508) has the molecular formula C14H30NO2+ and a molecular weight of 244.40 g/mol. Its IUPAC name is 2-acetyloxypropyl(tripropyl)azanium.

Molecular Properties

Compound Name2-acetyloxypropyl(tripropyl)azanium
PubChem CID24833508
Molecular FormulaC14H30NO2+
Molecular Weight244.40 g/mol
Exact Mass244.23
IUPAC Name2-acetyloxypropyl(tripropyl)azanium
SMILESCCC[N+](CCC)(CCC)CC(C)OC(C)=O
InChIInChI=1S/C14H30NO2/c1-6-9-15(10-7-2,11-8-3)12-13(4)17-14(5)16/h13H,6-12H2,1-5H3/q+1
InChIKeyBGATZZREWKUJKF-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;pentan-2-yl acetate
CID 174372937
2-benzoyloxypropyl-diethyl-propylazanium
CID 153475716
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
hexan-2-yl acetate;methane
CID 159910641
(2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium
CID 57042985
4-hydroxypentan-2-yl acetate;methane
CID 161366769
sodium;butan-2-ol;butan-2-yl acetate;methane;hydroxide
CID 169429700
pentacosan-2-yl acetate
CID 173416941
2-acetyloxypropyl(203Hg)mercury-203
CID 23724955
[(2R,6R)-6-acetyloxyheptan-2-yl] acetate
CID 100950858
[(2S)-1-bromopropan-2-yl] acetate
CID 13129281
butan-2-ol;butan-2-yl acetate;(E)-but-2-ene
CID 167575507

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxypropyl(tripropyl)azanium?
The IUPAC name of 2-acetyloxypropyl(tripropyl)azanium (CID 24833508) is 2-acetyloxypropyl(tripropyl)azanium.
What is the SMILES notation for 2-acetyloxypropyl(tripropyl)azanium?
The canonical SMILES for 2-acetyloxypropyl(tripropyl)azanium is CCC[N+](CCC)(CCC)CC(C)OC(C)=O.
What is the InChIKey of 2-acetyloxypropyl(tripropyl)azanium?
The InChIKey is BGATZZREWKUJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO2/c1-6-9-15(10-7-2,11-8-3)12-13(4)17-14(5)16/h13H,6-12H2,1-5H3/q+1.
What are the key properties of 2-acetyloxypropyl(tripropyl)azanium?
2-acetyloxypropyl(tripropyl)azanium has a molecular weight of 244.40 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxypropyl(tripropyl)azanium is sourced from PubChem (CID 24833508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).