2-(ethylamino)butyl acetate

C8H17NO2 — CID 171564336

IUPAC2-(ethylamino)butyl acetate
SMILESCCNC(CC)COC(C)=O
InChIInChI=1S/C8H17NO2/c1-4-8(9-5-2)6-11-7(3)10/h8-9H,4-6H2,1-3H3
InChIKeyLEMZLJHCZDHHMW-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds5

About 2-(ethylamino)butyl acetate

2-(ethylamino)butyl acetate (PubChem CID 171564336) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(ethylamino)butyl acetate.

Molecular Properties

Compound Name2-(ethylamino)butyl acetate
PubChem CID171564336
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(ethylamino)butyl acetate
SMILESCCNC(CC)COC(C)=O
InChIInChI=1S/C8H17NO2/c1-4-8(9-5-2)6-11-7(3)10/h8-9H,4-6H2,1-3H3
InChIKeyLEMZLJHCZDHHMW-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxyphenyl)methylamino]butyl acetate
CID 82533219
2-[(3-methylphenyl)methylamino]butyl acetate
CID 82533309
2-methylbutyl acetate
CID 90958828
[(2S)-2-acetamidopentyl] acetate
CID 14619274
[(2R)-2-acetamidopentyl] acetate
CID 10442452
[(2S)-2-[2-[[(2S)-1-(2,2-dimethylpropanoyloxy)butan-2-yl]amino]ethylamino]butyl] 2,2-dimethylpropanoate
CID 171348747
methane;2-methylbutyl acetate
CID 160631044
[(2S)-2-bromobutyl] acetate
CID 12597024
[(2R)-2-bromobutyl] acetate
CID 91998808
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-amine
CID 104560543
1-(ethylamino)ethyl acetate;hydrochloride
CID 174667406
[(2S)-2-(hydroxymethyl)butyl] acetate
CID 58892806

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)butyl acetate?
The IUPAC name of 2-(ethylamino)butyl acetate (CID 171564336) is 2-(ethylamino)butyl acetate.
What is the SMILES notation for 2-(ethylamino)butyl acetate?
The canonical SMILES for 2-(ethylamino)butyl acetate is CCNC(CC)COC(C)=O.
What is the InChIKey of 2-(ethylamino)butyl acetate?
The InChIKey is LEMZLJHCZDHHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-8(9-5-2)6-11-7(3)10/h8-9H,4-6H2,1-3H3.
What are the key properties of 2-(ethylamino)butyl acetate?
2-(ethylamino)butyl acetate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)butyl acetate is sourced from PubChem (CID 171564336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).