[(2R)-2-aminohexyl] acetate

C8H17NO2 — CID 15691424

IUPAC[(2R)-2-aminohexyl] acetate
SMILESCCCC[C@@H](N)COC(C)=O
InChIInChI=1S/C8H17NO2/c1-3-4-5-8(9)6-11-7(2)10/h8H,3-6,9H2,1-2H3/t8-/m1/s1
InChIKeyXZOBGKXTQIKFIQ-MRVPVSSYSA-N
MW159.23 g/mol
LogP1.07
Rot. Bonds5

About [(2R)-2-aminohexyl] acetate

[(2R)-2-aminohexyl] acetate (PubChem CID 15691424) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [(2R)-2-aminohexyl] acetate.

Molecular Properties

Compound Name[(2R)-2-aminohexyl] acetate
PubChem CID15691424
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[(2R)-2-aminohexyl] acetate
SMILESCCCC[C@@H](N)COC(C)=O
InChIInChI=1S/C8H17NO2/c1-3-4-5-8(9)6-11-7(2)10/h8H,3-6,9H2,1-2H3/t8-/m1/s1
InChIKeyXZOBGKXTQIKFIQ-MRVPVSSYSA-N
XLogP1.07
TPSA52.32 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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyltridecyl acetate
CID 163783668
2-butyloctyl acetate
CID 87569476
(2-amino-4-oxotridecyl) acetate
CID 161199425
2-hydroxytridecyl acetate
CID 170716401
2-propylundecyl acetate
CID 170849319
acetic acid;2-ethylhexyl acetate
CID 159619780
2-fluoroheptyl acetate
CID 24973893
acetic acid;heptatriacontan-19-amine
CID 173373447
ethyl acetate;decakis(heptane)
CID 173339657
ethyl acetate;pentakis(heptane)
CID 173012961
dodecane;ethyl acetate
CID 173033257
8-chlorododecyl acetate
CID 527906

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-aminohexyl] acetate?
The IUPAC name of [(2R)-2-aminohexyl] acetate (CID 15691424) is [(2R)-2-aminohexyl] acetate.
What is the SMILES notation for [(2R)-2-aminohexyl] acetate?
The canonical SMILES for [(2R)-2-aminohexyl] acetate is CCCC[C@@H](N)COC(C)=O.
What is the InChIKey of [(2R)-2-aminohexyl] acetate?
The InChIKey is XZOBGKXTQIKFIQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-4-5-8(9)6-11-7(2)10/h8H,3-6,9H2,1-2H3/t8-/m1/s1.
What are the key properties of [(2R)-2-aminohexyl] acetate?
[(2R)-2-aminohexyl] acetate has a molecular weight of 159.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-aminohexyl] acetate is sourced from PubChem (CID 15691424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).