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

C14H30N2O3 — CID 106010171

IUPAC1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
SMILESCC(C)OCCCCNCC(O)CN1CCOCC1
InChIInChI=1S/C14H30N2O3/c1-13(2)19-8-4-3-5-15-11-14(17)12-16-6-9-18-10-7-16/h13-15,17H,3-12H2,1-2H3
InChIKeyKVWNEQUEYNOGPU-UHFFFAOYSA-N
MW274.40 g/mol
LogP0.47
Rot. Bonds10

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

1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol (PubChem CID 106010171) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
PubChem CID106010171
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Name1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol
SMILESCC(C)OCCCCNCC(O)CN1CCOCC1
InChIInChI=1S/C14H30N2O3/c1-13(2)19-8-4-3-5-15-11-14(17)12-16-6-9-18-10-7-16/h13-15,17H,3-12H2,1-2H3
InChIKeyKVWNEQUEYNOGPU-UHFFFAOYSA-N
XLogP0.47
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 50.47
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-morpholin-4-yl-3-(3-propoxypropylamino)propan-2-ol
CID 82943258
1-(3-methylbutylamino)-3-morpholin-4-ylpropan-2-ol
CID 60665903
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
1-[2-[di(propan-2-yl)amino]ethylamino]-3-morpholin-4-ylpropan-2-ol
CID 60665958
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]ethyl carbamate
CID 83211878
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384
(2S)-1-(methylamino)-3-morpholin-4-ylpropan-2-ol
CID 7201085
1-(methoxyamino)-3-morpholin-4-ylpropan-2-ol
CID 60702622
1-(2-methylprop-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 115574800
(2S)-1-morpholin-4-yl-3-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 8006726
1-(3-methylbut-2-enylamino)-3-morpholin-4-ylpropan-2-ol
CID 103605552
1-(4-methoxybutan-2-ylamino)-3-morpholin-4-ylpropan-2-ol
CID 64604856

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol?
The IUPAC name of 1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol (CID 106010171) is 1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol.
What is the SMILES notation for 1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol?
The canonical SMILES for 1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol is CC(C)OCCCCNCC(O)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol?
The InChIKey is KVWNEQUEYNOGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-13(2)19-8-4-3-5-15-11-14(17)12-16-6-9-18-10-7-16/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol?
1-morpholin-4-yl-3-(4-propan-2-yloxybutylamino)propan-2-ol has a molecular weight of 274.40 g/mol, XLogP of 0.47, 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-(4-propan-2-yloxybutylamino)propan-2-ol is sourced from PubChem (CID 106010171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).