decan-2-yl 8-aminooctanoate

C18H37NO2 — CID 15889565

IUPACdecan-2-yl 8-aminooctanoate
SMILESCCCCCCCCC(C)OC(=O)CCCCCCCN
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-8-11-14-17(2)21-18(20)15-12-9-7-10-13-16-19/h17H,3-16,19H2,1-2H3
InChIKeyJOTBACXKYJVJIR-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.97
Rot. Bonds15

About decan-2-yl 8-aminooctanoate

decan-2-yl 8-aminooctanoate (PubChem CID 15889565) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is decan-2-yl 8-aminooctanoate.

Molecular Properties

Compound Namedecan-2-yl 8-aminooctanoate
PubChem CID15889565
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Namedecan-2-yl 8-aminooctanoate
SMILESCCCCCCCCC(C)OC(=O)CCCCCCCN
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-8-11-14-17(2)21-18(20)15-12-9-7-10-13-16-19/h17H,3-16,19H2,1-2H3
InChIKeyJOTBACXKYJVJIR-UHFFFAOYSA-N
XLogP4.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.97
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

undecan-2-yl 6-aminohexanoate
CID 11324717
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
heptadecan-2-yl tetradecanoate
CID 54293612
pentan-2-yl 6-aminohexanoate
CID 102982561
dioctan-2-yl pentanedioate
CID 71404705
CID 165051980
CID 165051980
6-O-heptan-2-yl 1-O-undecyl hexanedioate
CID 87947854
6-O-octan-2-yl 1-O-tetradecyl hexanedioate
CID 91714170
5-nonanoyloxyhexyl nonanoate
CID 87588182

Frequently Asked Questions

What is the IUPAC name of decan-2-yl 8-aminooctanoate?
The IUPAC name of decan-2-yl 8-aminooctanoate (CID 15889565) is decan-2-yl 8-aminooctanoate.
What is the SMILES notation for decan-2-yl 8-aminooctanoate?
The canonical SMILES for decan-2-yl 8-aminooctanoate is CCCCCCCCC(C)OC(=O)CCCCCCCN.
What is the InChIKey of decan-2-yl 8-aminooctanoate?
The InChIKey is JOTBACXKYJVJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-4-5-6-8-11-14-17(2)21-18(20)15-12-9-7-10-13-16-19/h17H,3-16,19H2,1-2H3.
What are the key properties of decan-2-yl 8-aminooctanoate?
decan-2-yl 8-aminooctanoate has a molecular weight of 299.50 g/mol, XLogP of 4.97, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl 8-aminooctanoate is sourced from PubChem (CID 15889565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).