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

C15H34N2O3 — CID 152728854

IUPAC1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol
SMILESCCCCC(O)CNC(NCC(O)CCCC)C(C)O
InChIInChI=1S/C15H34N2O3/c1-4-6-8-13(19)10-16-15(12(3)18)17-11-14(20)9-7-5-2/h12-20H,4-11H2,1-3H3
InChIKeyZXEKSJKUDZQMSG-UHFFFAOYSA-N
MW290.45 g/mol
LogP0.97
Rot. Bonds13

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

1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol (PubChem CID 152728854) has the molecular formula C15H34N2O3 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol
PubChem CID152728854
Molecular FormulaC15H34N2O3
Molecular Weight290.45 g/mol
Exact Mass290.26
IUPAC Name1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol
SMILESCCCCC(O)CNC(NCC(O)CCCC)C(C)O
InChIInChI=1S/C15H34N2O3/c1-4-6-8-13(19)10-16-15(12(3)18)17-11-14(20)9-7-5-2/h12-20H,4-11H2,1-3H3
InChIKeyZXEKSJKUDZQMSG-UHFFFAOYSA-N
XLogP0.97
TPSA84.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(1-hydroxy-2-methylpropyl)amino]decan-2-ol
CID 57282042
1-(ethylamino)hexan-2-ol
CID 54078804
1-[[2-hydroxy-3-(2-hydroxypentylamino)propyl]amino]hexan-2-ol
CID 90097006
CID 172776718
CID 172776718
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
1-[3-(2-hydroxyundecylamino)butylamino]undecan-2-ol
CID 21332381
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
1-(1-aminopropylamino)octan-2-ol
CID 140711640
1-(octan-4-ylamino)propan-2-ol
CID 103775311
(5R,7S)-undecane-5,7-diol
CID 10899409
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-(1-aminoethylamino)heptan-3-ol
CID 140711630

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol?
The IUPAC name of 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol (CID 152728854) is 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol is CCCCC(O)CNC(NCC(O)CCCC)C(C)O.
What is the InChIKey of 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol?
The InChIKey is ZXEKSJKUDZQMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O3/c1-4-6-8-13(19)10-16-15(12(3)18)17-11-14(20)9-7-5-2/h12-20H,4-11H2,1-3H3.
What are the key properties of 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol?
1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 0.97, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-1-(2-hydroxyhexylamino)propyl]amino]hexan-2-ol is sourced from PubChem (CID 152728854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).