undecan-2-yl 6-aminohexanoate

C17H35NO2 — CID 11324717

IUPACundecan-2-yl 6-aminohexanoate
SMILESCCCCCCCCCC(C)OC(=O)CCCCCN
InChIInChI=1S/C17H35NO2/c1-3-4-5-6-7-8-10-13-16(2)20-17(19)14-11-9-12-15-18/h16H,3-15,18H2,1-2H3
InChIKeyUSNZQOCQKIHZBY-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.58
Rot. Bonds14

About undecan-2-yl 6-aminohexanoate

undecan-2-yl 6-aminohexanoate (PubChem CID 11324717) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is undecan-2-yl 6-aminohexanoate.

Molecular Properties

Compound Nameundecan-2-yl 6-aminohexanoate
PubChem CID11324717
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Nameundecan-2-yl 6-aminohexanoate
SMILESCCCCCCCCCC(C)OC(=O)CCCCCN
InChIInChI=1S/C17H35NO2/c1-3-4-5-6-7-8-10-13-16(2)20-17(19)14-11-9-12-15-18/h16H,3-15,18H2,1-2H3
InChIKeyUSNZQOCQKIHZBY-UHFFFAOYSA-N
XLogP4.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.58
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

decan-2-yl 8-aminooctanoate
CID 15889565
heptadecan-2-yl tetradecanoate
CID 54293612
nonan-2-yl undecanoate
CID 87368690
pentadecan-2-yl icosanoate
CID 162895127
henicosan-2-yl hexadecanoate
CID 87097147
octatriacontan-2-yl dodecanoate
CID 174214599
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 undecan-2-yl 6-aminohexanoate?
The IUPAC name of undecan-2-yl 6-aminohexanoate (CID 11324717) is undecan-2-yl 6-aminohexanoate.
What is the SMILES notation for undecan-2-yl 6-aminohexanoate?
The canonical SMILES for undecan-2-yl 6-aminohexanoate is CCCCCCCCCC(C)OC(=O)CCCCCN.
What is the InChIKey of undecan-2-yl 6-aminohexanoate?
The InChIKey is USNZQOCQKIHZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-4-5-6-7-8-10-13-16(2)20-17(19)14-11-9-12-15-18/h16H,3-15,18H2,1-2H3.
What are the key properties of undecan-2-yl 6-aminohexanoate?
undecan-2-yl 6-aminohexanoate has a molecular weight of 285.47 g/mol, XLogP of 4.58, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecan-2-yl 6-aminohexanoate is sourced from PubChem (CID 11324717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).