8-aminooctyl 2-methylpropanoate

C12H25NO2 — CID 88886116

IUPAC8-aminooctyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCCCCCCCN
InChIInChI=1S/C12H25NO2/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h11H,3-10,13H2,1-2H3
InChIKeyQSFVTJLAWMDRSV-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.48
Rot. Bonds9

About 8-aminooctyl 2-methylpropanoate

8-aminooctyl 2-methylpropanoate (PubChem CID 88886116) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 8-aminooctyl 2-methylpropanoate.

Molecular Properties

Compound Name8-aminooctyl 2-methylpropanoate
PubChem CID88886116
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name8-aminooctyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCCCCCCCN
InChIInChI=1S/C12H25NO2/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h11H,3-10,13H2,1-2H3
InChIKeyQSFVTJLAWMDRSV-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-aminopropyl 2-methylpropanoate
CID 59078098
6-methoxyhexyl 2-methylpropanoate
CID 135199835
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
CID 159728832
18-aminooctadecyl 3-methyl-2-methylidenebutanoate
CID 130298761
6-trihydroxysilylhexyl 2-methylpropanoate
CID 102303066
hexane-1,6-diamine;2-methylpropanoic acid
CID 21426939
bis(6-aminohexyl) carbonate
CID 87932900
oct-7-enyl 2-methylpropanoate
CID 87633860
5-aminopentyl 2-[bis(methylsulfanyl)amino]propanoate
CID 23187687
butyl 2-methylpropanoate;2-methylpropane
CID 157176975

Frequently Asked Questions

What is the IUPAC name of 8-aminooctyl 2-methylpropanoate?
The IUPAC name of 8-aminooctyl 2-methylpropanoate (CID 88886116) is 8-aminooctyl 2-methylpropanoate.
What is the SMILES notation for 8-aminooctyl 2-methylpropanoate?
The canonical SMILES for 8-aminooctyl 2-methylpropanoate is CC(C)C(=O)OCCCCCCCCN.
What is the InChIKey of 8-aminooctyl 2-methylpropanoate?
The InChIKey is QSFVTJLAWMDRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2)12(14)15-10-8-6-4-3-5-7-9-13/h11H,3-10,13H2,1-2H3.
What are the key properties of 8-aminooctyl 2-methylpropanoate?
8-aminooctyl 2-methylpropanoate has a molecular weight of 215.34 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminooctyl 2-methylpropanoate is sourced from PubChem (CID 88886116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).