1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol

C13H28N2O3 — CID 82943258

IUPAC1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol
SMILESCCCOCCCNCC(O)CN1CCOCC1
InChIInChI=1S/C13H28N2O3/c1-2-7-17-8-3-4-14-11-13(16)12-15-5-9-18-10-6-15/h13-14,16H,2-12H2,1H3
InChIKeyZAOCKEVHEFHEIZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.09
Rot. Bonds10

About 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol

1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol (PubChem CID 82943258) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol
PubChem CID82943258
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol
SMILESCCCOCCCNCC(O)CN1CCOCC1
InChIInChI=1S/C13H28N2O3/c1-2-7-17-8-3-4-14-11-13(16)12-15-5-9-18-10-6-15/h13-14,16H,2-12H2,1H3
InChIKeyZAOCKEVHEFHEIZ-UHFFFAOYSA-N
XLogP0.09
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010171
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate
CID 83211878
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60665958
1-morpholin-4-yl-3-[(1-propylcyclopropyl)methylamino]propan-2-ol
CID 114100005
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
ethyl 2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]acetate
CID 60681827
1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800
1-[(2-methylpropan-2-yl)oxyamino]-3-morpholin-4-ylpropan-2-ol
CID 82724312
1-(2-methoxyethoxy)-3-(2-morpholin-4-ylethylamino)propan-2-ol
CID 106989208

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol (CID 82943258) is 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol is CCCOCCCNCC(O)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol?
The InChIKey is ZAOCKEVHEFHEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-2-7-17-8-3-4-14-11-13(16)12-15-5-9-18-10-6-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol?
1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol has a molecular weight of 260.38 g/mol, XLogP of 0.09, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol is sourced from PubChem (CID 82943258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).