1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol

C21H46N2O2 — CID 21332422

IUPAC1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
SMILESCCCCCC(O)CNCCCCCCCNCC(O)CCCCC
InChIInChI=1S/C21H46N2O2/c1-3-5-10-14-20(24)18-22-16-12-8-7-9-13-17-23-19-21(25)15-11-6-4-2/h20-25H,3-19H2,1-2H3
InChIKeyLKOKXQIXAZLIIJ-UHFFFAOYSA-N
MW358.61 g/mol
LogP4.00
Rot. Bonds20

About 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol

1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol (PubChem CID 21332422) has the molecular formula C21H46N2O2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol.

Molecular Properties

Compound Name1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
PubChem CID21332422
Molecular FormulaC21H46N2O2
Molecular Weight358.61 g/mol
Exact Mass358.36
IUPAC Name1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
SMILESCCCCCC(O)CNCCCCCCCNCC(O)CCCCC
InChIInChI=1S/C21H46N2O2/c1-3-5-10-14-20(24)18-22-16-12-8-7-9-13-17-23-19-21(25)15-11-6-4-2/h20-25H,3-19H2,1-2H3
InChIKeyLKOKXQIXAZLIIJ-UHFFFAOYSA-N
XLogP4.00
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 54.00
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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Related Compounds

1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-(propylamino)hexadecan-2-ol
CID 88695975
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
tetrakis[3-(2-hydroxytetradecylamino)propyl]azanium
CID 88928951
1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol;bis(2-hydroxypropanoic acid)
CID 159703654
butanedioic acid;1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol
CID 21332461

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol?
The IUPAC name of 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol (CID 21332422) is 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol.
What is the SMILES notation for 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol?
The canonical SMILES for 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol is CCCCCC(O)CNCCCCCCCNCC(O)CCCCC.
What is the InChIKey of 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol?
The InChIKey is LKOKXQIXAZLIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2O2/c1-3-5-10-14-20(24)18-22-16-12-8-7-9-13-17-23-19-21(25)15-11-6-4-2/h20-25H,3-19H2,1-2H3.
What are the key properties of 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol?
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol has a molecular weight of 358.61 g/mol, XLogP of 4.00, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol is sourced from PubChem (CID 21332422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).