1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol

C14H32N2O3 — CID 90097006

IUPAC1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol
SMILESCCCCC(O)CNCC(O)CNCC(O)CCC
InChIInChI=1S/C14H32N2O3/c1-3-5-7-13(18)9-16-11-14(19)10-15-8-12(17)6-4-2/h12-19H,3-11H2,1-2H3
InChIKeyOLEWBOVLHYQVBU-UHFFFAOYSA-N
MW276.42 g/mol
LogP0.24
Rot. Bonds13

About 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol

1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol (PubChem CID 90097006) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol
PubChem CID90097006
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol
SMILESCCCCC(O)CNCC(O)CNCC(O)CCC
InChIInChI=1S/C14H32N2O3/c1-3-5-7-13(18)9-16-11-14(19)10-15-8-12(17)6-4-2/h12-19H,3-11H2,1-2H3
InChIKeyOLEWBOVLHYQVBU-UHFFFAOYSA-N
XLogP0.24
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 50.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-(ethylamino)hexan-2-ol
CID 54078804
1-(2-ethylpentylamino)pentan-2-ol
CID 163393194
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-(ethylamino)octan-2-ol
CID 62774096
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-(propylamino)hexadecan-2-ol
CID 88695975
decane-4,6-diol;scandium
CID 164810305
ethane-1,2-diol;octan-4-ol
CID 174867706

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol (CID 90097006) is 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol is CCCCC(O)CNCC(O)CNCC(O)CCC.
What is the InChIKey of 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol?
The InChIKey is OLEWBOVLHYQVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c1-3-5-7-13(18)9-16-11-14(19)10-15-8-12(17)6-4-2/h12-19H,3-11H2,1-2H3.
What are the key properties of 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol?
1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 0.24, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol is sourced from PubChem (CID 90097006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).