1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol

C24H52N2O2 — CID 21332345

IUPAC1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol
SMILESCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCC
InChIInChI=1S/C24H52N2O2/c1-3-5-7-9-13-17-23(27)21-25-19-15-11-12-16-20-26-22-24(28)18-14-10-8-6-4-2/h23-28H,3-22H2,1-2H3
InChIKeyDGRDRFXZGSCWMP-UHFFFAOYSA-N
MW400.69 g/mol
LogP5.17
Rot. Bonds23

About 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol

1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol (PubChem CID 21332345) has the molecular formula C24H52N2O2 and a molecular weight of 400.69 g/mol. Its IUPAC name is 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol
PubChem CID21332345
Molecular FormulaC24H52N2O2
Molecular Weight400.69 g/mol
Exact Mass400.40
IUPAC Name1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol
SMILESCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCC
InChIInChI=1S/C24H52N2O2/c1-3-5-7-9-13-17-23(27)21-25-19-15-11-12-16-20-26-22-24(28)18-14-10-8-6-4-2/h23-28H,3-22H2,1-2H3
InChIKeyDGRDRFXZGSCWMP-UHFFFAOYSA-N
XLogP5.17
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.69
LogP ≤ 55.17
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-hydroxynonylamino)hexylamino]nonan-2-ol?
The IUPAC name of 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol (CID 21332345) is 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol is CCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCC.
What is the InChIKey of 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol?
The InChIKey is DGRDRFXZGSCWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H52N2O2/c1-3-5-7-9-13-17-23(27)21-25-19-15-11-12-16-20-26-22-24(28)18-14-10-8-6-4-2/h23-28H,3-22H2,1-2H3.
What are the key properties of 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol?
1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol has a molecular weight of 400.69 g/mol, XLogP of 5.17, 23 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol is sourced from PubChem (CID 21332345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).