1-(morpholin-4-ylamino)-3-octoxypropan-2-ol

C15H32N2O3 — CID 83022017

IUPAC1-(morpholin-4-ylamino)-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNN1CCOCC1
InChIInChI=1S/C15H32N2O3/c1-2-3-4-5-6-7-10-20-14-15(18)13-16-17-8-11-19-12-9-17/h15-16,18H,2-14H2,1H3
InChIKeyYKPNPHDMGWULHZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.56
Rot. Bonds12

About 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol

1-(morpholin-4-ylamino)-3-octoxypropan-2-ol (PubChem CID 83022017) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol.

Molecular Properties

Compound Name1-(morpholin-4-ylamino)-3-octoxypropan-2-ol
PubChem CID83022017
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-(morpholin-4-ylamino)-3-octoxypropan-2-ol
SMILESCCCCCCCCOCC(O)CNN1CCOCC1
InChIInChI=1S/C15H32N2O3/c1-2-3-4-5-6-7-10-20-14-15(18)13-16-17-8-11-19-12-9-17/h15-16,18H,2-14H2,1H3
InChIKeyYKPNPHDMGWULHZ-UHFFFAOYSA-N
XLogP1.56
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-hydroxyethylamino)-3-octadecoxypropan-2-ol
CID 137434475
2-[(2-hydroxy-3-octoxypropyl)amino]propane-1,3-diol
CID 65314677
1-hexoxy-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60909698
1-[(1-methylpiperidin-4-yl)amino]-3-octoxypropan-2-ol
CID 60909696
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
1-(cyclobutylamino)-3-hexoxypropan-2-ol
CID 62415937
1-(4-methylpentan-2-ylamino)-3-octoxypropan-2-ol
CID 60899891
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
1-icosoxybutan-2-ol
CID 58176389
(2S)-1-octoxybutan-2-ol
CID 88988399
1-[[(1R)-1-cyclopentylethyl]amino]-3-hexoxypropan-2-ol
CID 81395639

Frequently Asked Questions

What is the IUPAC name of 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol?
The IUPAC name of 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol (CID 83022017) is 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol.
What is the SMILES notation for 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol?
The canonical SMILES for 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol is CCCCCCCCOCC(O)CNN1CCOCC1.
What is the InChIKey of 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol?
The InChIKey is YKPNPHDMGWULHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-2-3-4-5-6-7-10-20-14-15(18)13-16-17-8-11-19-12-9-17/h15-16,18H,2-14H2,1H3.
What are the key properties of 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol?
1-(morpholin-4-ylamino)-3-octoxypropan-2-ol has a molecular weight of 288.43 g/mol, XLogP of 1.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(morpholin-4-ylamino)-3-octoxypropan-2-ol is sourced from PubChem (CID 83022017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).