1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol

C26H56N2O2 — CID 21332371

IUPAC1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol
SMILESCCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCC
InChIInChI=1S/C26H56N2O2/c1-3-5-7-9-11-15-19-25(29)23-27-21-17-13-14-18-22-28-24-26(30)20-16-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3
InChIKeyNLCKREVJJNFBHC-UHFFFAOYSA-N
MW428.75 g/mol
LogP5.95
Rot. Bonds25

About 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol

1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol (PubChem CID 21332371) has the molecular formula C26H56N2O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol
PubChem CID21332371
Molecular FormulaC26H56N2O2
Molecular Weight428.75 g/mol
Exact Mass428.43
IUPAC Name1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol
SMILESCCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCC
InChIInChI=1S/C26H56N2O2/c1-3-5-7-9-11-15-19-25(29)23-27-21-17-13-14-18-22-28-24-26(30)20-16-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3
InChIKeyNLCKREVJJNFBHC-UHFFFAOYSA-N
XLogP5.95
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.75
LogP ≤ 55.95
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-hydroxydecylamino)hexylamino]decan-2-ol?
The IUPAC name of 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol (CID 21332371) is 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol is CCCCCCCCC(O)CNCCCCCCNCC(O)CCCCCCCC.
What is the InChIKey of 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol?
The InChIKey is NLCKREVJJNFBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2O2/c1-3-5-7-9-11-15-19-25(29)23-27-21-17-13-14-18-22-28-24-26(30)20-16-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3.
What are the key properties of 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol?
1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol has a molecular weight of 428.75 g/mol, XLogP of 5.95, 25 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxydecylamino)hexylamino]decan-2-ol is sourced from PubChem (CID 21332371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).