1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol

C15H33N3O2 — CID 60665958

IUPAC1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)N(CCNCC(O)CN1CCOCC1)C(C)C
InChIInChI=1S/C15H33N3O2/c1-13(2)18(14(3)4)6-5-16-11-15(19)12-17-7-9-20-10-8-17/h13-16,19H,5-12H2,1-4H3
InChIKeyJPEMVAZEUUTQTA-UHFFFAOYSA-N
MW287.45 g/mol
LogP0.39
Rot. Bonds9

About 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol

1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 60665958) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID60665958
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Name1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCC(C)N(CCNCC(O)CN1CCOCC1)C(C)C
InChIInChI=1S/C15H33N3O2/c1-13(2)18(14(3)4)6-5-16-11-15(19)12-17-7-9-20-10-8-17/h13-16,19H,5-12H2,1-4H3
InChIKeyJPEMVAZEUUTQTA-UHFFFAOYSA-N
XLogP0.39
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 50.39
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-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010171
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800
1-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol
CID 82943258
(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 8006726
3-[2-[di(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 76891683
1-(3-methylbut-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 103605552
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate
CID 83211878
3-[2-(dimethylamino)ethylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione
CID 53369685
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
1-(2-chloroprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574804

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol (CID 60665958) is 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol is CC(C)N(CCNCC(O)CN1CCOCC1)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is JPEMVAZEUUTQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-13(2)18(14(3)4)6-5-16-11-15(19)12-17-7-9-20-10-8-17/h13-16,19H,5-12H2,1-4H3.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol?
1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 287.45 g/mol, XLogP of 0.39, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 60665958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).