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

C10H22N2O2 — CID 104961377

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H22N2O2/c1-8-4-12(5-9(2)14-8)6-10(7-13)11-3/h8-11,13H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyBVDIHCBQZJIPHB-ULKQDVFKSA-N
MW202.30 g/mol
LogP-0.32
Rot. Bonds4

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

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol (PubChem CID 104961377) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol
PubChem CID104961377
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H22N2O2/c1-8-4-12(5-9(2)14-8)6-10(7-13)11-3/h8-11,13H,4-7H2,1-3H3/t8-,9+,10?
InChIKeyBVDIHCBQZJIPHB-ULKQDVFKSA-N
XLogP-0.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-2-(ethylamino)propan-1-ol
CID 64796723
2-(methylamino)-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64797801
2-(methylamino)-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 64790156
2-amino-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 64797367
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid
CID 104960300
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64827046
3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64790393
(2R,6S)-4-(2,2-dimethoxyethyl)-2,6-dimethylmorpholine
CID 104959389
2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
CID 64797303
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanehydrazide
CID 104961276

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol (CID 104961377) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol is CNC(CO)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol?
The InChIKey is BVDIHCBQZJIPHB-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8-4-12(5-9(2)14-8)6-10(7-13)11-3/h8-11,13H,4-7H2,1-3H3/t8-,9+,10?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol has a molecular weight of 202.30 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 104961377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).