N-ethylcarbamate;2-ethylhexylazanium

C11H26N2O2 — CID 87642264

IUPACN-ethylcarbamate;2-ethylhexylazanium
SMILESCCCCC(CC)C[NH3+].CCNC(=O)[O-]
InChIInChI=1S/C8H19N.C3H7NO2/c1-3-5-6-8(4-2)7-9;1-2-4-3(5)6/h8H,3-7,9H2,1-2H3;4H,2H2,1H3,(H,5,6)
InChIKeyAUUUHOWQCBQCFT-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.38
Rot. Bonds6

About N-ethylcarbamate;2-ethylhexylazanium

N-ethylcarbamate;2-ethylhexylazanium (PubChem CID 87642264) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-ethylcarbamate;2-ethylhexylazanium.

Molecular Properties

Compound NameN-ethylcarbamate;2-ethylhexylazanium
PubChem CID87642264
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC NameN-ethylcarbamate;2-ethylhexylazanium
SMILESCCCCC(CC)C[NH3+].CCNC(=O)[O-]
InChIInChI=1S/C8H19N.C3H7NO2/c1-3-5-6-8(4-2)7-9;1-2-4-3(5)6/h8H,3-7,9H2,1-2H3;4H,2H2,1H3,(H,5,6)
InChIKeyAUUUHOWQCBQCFT-UHFFFAOYSA-N
XLogP0.38
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylhexylazanium hydroxide
CID 23510548
2-cyanoethylazanium;2-ethylhexylazanium;hydrogen carbonate
CID 140555065
zinc bis(3-ethylheptanoate)
CID 159696376
tetrakis(4-ethyl-2-sulfanyloctanoate);tin(4+)
CID 158685009
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
methyl 4-ethyl-2-oxooctanoate
CID 87175100
[2-(2-ethylhexoxy)-2-oxoethyl]azanium
CID 163684998
antimony(3+);tris(2-(2-ethylhexylsulfanyl)-2-hydroxyacetate)
CID 173393888
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
dihydroxy(oxo)phosphanium;3-ethylheptane
CID 88713628
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564

Frequently Asked Questions

What is the IUPAC name of N-ethylcarbamate;2-ethylhexylazanium?
The IUPAC name of N-ethylcarbamate;2-ethylhexylazanium (CID 87642264) is N-ethylcarbamate;2-ethylhexylazanium.
What is the SMILES notation for N-ethylcarbamate;2-ethylhexylazanium?
The canonical SMILES for N-ethylcarbamate;2-ethylhexylazanium is CCCCC(CC)C[NH3+].CCNC(=O)[O-].
What is the InChIKey of N-ethylcarbamate;2-ethylhexylazanium?
The InChIKey is AUUUHOWQCBQCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C3H7NO2/c1-3-5-6-8(4-2)7-9;1-2-4-3(5)6/h8H,3-7,9H2,1-2H3;4H,2H2,1H3,(H,5,6).
What are the key properties of N-ethylcarbamate;2-ethylhexylazanium?
N-ethylcarbamate;2-ethylhexylazanium has a molecular weight of 218.34 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcarbamate;2-ethylhexylazanium is sourced from PubChem (CID 87642264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).