1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol

C13H28N2O2 — CID 113317478

IUPAC1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CN1CCOCC1(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)7-14-8-12(16)9-15-5-6-17-10-13(15,3)4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyCHOJJJBJBVEPOO-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.70
Rot. Bonds6

About 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol

1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 113317478) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
PubChem CID113317478
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)CN1CCOCC1(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)7-14-8-12(16)9-15-5-6-17-10-13(15,3)4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyCHOJJJBJBVEPOO-UHFFFAOYSA-N
XLogP0.70
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)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

(2S)-1-(3,3-dimethylmorpholin-4-yl)propan-2-ol
CID 103935066
N-[2-(3,3-dimethylmorpholin-4-yl)propyl]-2-methylpropan-1-amine
CID 62461681
1-(3,3-dimethylmorpholin-4-yl)-3-ethoxypropan-2-ol
CID 63932943
3-(3,3-dimethylmorpholin-4-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81019120
1-(3,3-dimethylmorpholin-4-yl)-N-methylbutan-2-amine
CID 62038435
3-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-amine
CID 61430007
4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one
CID 115475838
N-[[6-[(3,3-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906337
(1S)-1-(4-bromophenyl)-2-(3,3-dimethylmorpholin-4-yl)ethanol
CID 92858364
N-[1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-2-yl]-2-methylbutanamide
CID 163271257
(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119876458

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol (CID 113317478) is 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(O)CN1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is CHOJJJBJBVEPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)7-14-8-12(16)9-15-5-6-17-10-13(15,3)4/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol?
1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 113317478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).