1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol

C22H48N2O2 — CID 21332375

IUPAC1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol
SMILESCCCCCCC(O)CNCCCCCCNCC(O)CCCCCC
InChIInChI=1S/C22H48N2O2/c1-3-5-7-11-15-21(25)19-23-17-13-9-10-14-18-24-20-22(26)16-12-8-6-4-2/h21-26H,3-20H2,1-2H3
InChIKeyCMDCONKXCKYDNR-UHFFFAOYSA-N
MW372.64 g/mol
LogP4.39
Rot. Bonds21

About 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol

1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol (PubChem CID 21332375) has the molecular formula C22H48N2O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol
PubChem CID21332375
Molecular FormulaC22H48N2O2
Molecular Weight372.64 g/mol
Exact Mass372.37
IUPAC Name1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol
SMILESCCCCCCC(O)CNCCCCCCNCC(O)CCCCCC
InChIInChI=1S/C22H48N2O2/c1-3-5-7-11-15-21(25)19-23-17-13-9-10-14-18-24-20-22(26)16-12-8-6-4-2/h21-26H,3-20H2,1-2H3
InChIKeyCMDCONKXCKYDNR-UHFFFAOYSA-N
XLogP4.39
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.64
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol?
The IUPAC name of 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol (CID 21332375) is 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol is CCCCCCC(O)CNCCCCCCNCC(O)CCCCCC.
What is the InChIKey of 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol?
The InChIKey is CMDCONKXCKYDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N2O2/c1-3-5-7-11-15-21(25)19-23-17-13-9-10-14-18-24-20-22(26)16-12-8-6-4-2/h21-26H,3-20H2,1-2H3.
What are the key properties of 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol?
1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol has a molecular weight of 372.64 g/mol, XLogP of 4.39, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxyoctylamino)hexylamino]octan-2-ol is sourced from PubChem (CID 21332375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).