3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol

C13H28N2O2 — CID 104961376

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O2/c1-5-6-14-13(4,10-16)9-15-7-11(2)17-12(3)8-15/h11-12,14,16H,5-10H2,1-4H3/t11-,12+,13?
InChIKeyKEHKGSDMEPGHCI-FUNVUKJBSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds6

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol (PubChem CID 104961376) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol
PubChem CID104961376
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol
SMILESCCCNC(C)(CO)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C13H28N2O2/c1-5-6-14-13(4,10-16)9-15-7-11(2)17-12(3)8-15/h11-12,14,16H,5-10H2,1-4H3/t11-,12+,13?
InChIKeyKEHKGSDMEPGHCI-FUNVUKJBSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64795630
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)pentan-1-ol
CID 104961364
3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 113419309
3-(azepan-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64795636
1-(2,6-dimethylmorpholin-4-yl)-N-ethyl-2-methylpropan-2-amine
CID 62835400
2-methyl-2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64792291
2-(ethylamino)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64798661
2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
methyl 2-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)-2-(propylamino)propanoate
CID 63906853
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64789656
(2R,6S)-4-(2,2-dimethylpropyl)-2,6-dimethylmorpholine
CID 148863425
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol (CID 104961376) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol is CCCNC(C)(CO)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol?
The InChIKey is KEHKGSDMEPGHCI-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-6-14-13(4,10-16)9-15-7-11(2)17-12(3)8-15/h11-12,14,16H,5-10H2,1-4H3/t11-,12+,13?.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 104961376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).