3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one

C12H24N2O3 — CID 113411282

IUPAC3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(CO)CNCCC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,10-15)9-13-4-3-11(16)14-5-7-17-8-6-14/h13,15H,3-10H2,1-2H3
InChIKeyPNYCXTIUHVTTTP-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.16
Rot. Bonds6

About 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one

3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 113411282) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID113411282
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCC(C)(CO)CNCCC(=O)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,10-15)9-13-4-3-11(16)14-5-7-17-8-6-14/h13,15H,3-10H2,1-2H3
InChIKeyPNYCXTIUHVTTTP-UHFFFAOYSA-N
XLogP-0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]-1-morpholin-4-ylpropan-1-one
CID 113411382
3-[(3-methoxy-3-methylbutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103033572
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
CID 109011993
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-3-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 116615757
1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
1-morpholin-4-yl-3-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-one
CID 115586570
3-[(3-hydroxy-2,2-dimethylpropyl)amino]propanamide
CID 81414518
methyl 2-bromo-3-[(3-morpholin-4-yl-3-oxopropyl)amino]propanoate
CID 103263000
tert-butyl N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 55452043
1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016693

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one (CID 113411282) is 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one is CC(C)(CO)CNCCC(=O)N1CCOCC1.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is PNYCXTIUHVTTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,10-15)9-13-4-3-11(16)14-5-7-17-8-6-14/h13,15H,3-10H2,1-2H3.
What are the key properties of 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 244.33 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 113411282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).