6-(1-hydroxyoctylamino)hexanoic acid

C14H29NO3 — CID 57164493

IUPAC6-(1-hydroxyoctylamino)hexanoic acid
SMILESCCCCCCCC(O)NCCCCCC(=O)O
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-7-10-13(16)15-12-9-6-8-11-14(17)18/h13,15-16H,2-12H2,1H3,(H,17,18)
InChIKeyPKMCJGXZJCILJQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.90
Rot. Bonds13

About 6-(1-hydroxyoctylamino)hexanoic acid

6-(1-hydroxyoctylamino)hexanoic acid (PubChem CID 57164493) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 6-(1-hydroxyoctylamino)hexanoic acid.

Molecular Properties

Compound Name6-(1-hydroxyoctylamino)hexanoic acid
PubChem CID57164493
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name6-(1-hydroxyoctylamino)hexanoic acid
SMILESCCCCCCCC(O)NCCCCCC(=O)O
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-7-10-13(16)15-12-9-6-8-11-14(17)18/h13,15-16H,2-12H2,1H3,(H,17,18)
InChIKeyPKMCJGXZJCILJQ-UHFFFAOYSA-N
XLogP2.90
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(1-hydroxydecylamino)hexanoic acid
CID 57248490
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
(Z)-17-(butylamino)-17-hydroxyheptadec-12-enoic acid
CID 129016883
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
formaldehyde;methanol;18-(pentylamino)nonadecanoic acid
CID 145026869
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyoctylamino)hexanoic acid?
The IUPAC name of 6-(1-hydroxyoctylamino)hexanoic acid (CID 57164493) is 6-(1-hydroxyoctylamino)hexanoic acid.
What is the SMILES notation for 6-(1-hydroxyoctylamino)hexanoic acid?
The canonical SMILES for 6-(1-hydroxyoctylamino)hexanoic acid is CCCCCCCC(O)NCCCCCC(=O)O.
What is the InChIKey of 6-(1-hydroxyoctylamino)hexanoic acid?
The InChIKey is PKMCJGXZJCILJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-2-3-4-5-7-10-13(16)15-12-9-6-8-11-14(17)18/h13,15-16H,2-12H2,1H3,(H,17,18).
What are the key properties of 6-(1-hydroxyoctylamino)hexanoic acid?
6-(1-hydroxyoctylamino)hexanoic acid has a molecular weight of 259.39 g/mol, XLogP of 2.90, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyoctylamino)hexanoic acid is sourced from PubChem (CID 57164493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).