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

C12H24N2O2 — CID 124550922

IUPAC(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)CNC2CC2)C[C@H](C)O1
InChIInChI=1S/C12H24N2O2/c1-9-6-14(7-10(2)16-9)8-12(15)5-13-11-3-4-11/h9-13,15H,3-8H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyOJAKQWNAQAVMGM-UMNHJUIQSA-N
MW228.34 g/mol
LogP0.21
Rot. Bonds5

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

(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 124550922) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID124550922
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)CNC2CC2)C[C@H](C)O1
InChIInChI=1S/C12H24N2O2/c1-9-6-14(7-10(2)16-9)8-12(15)5-13-11-3-4-11/h9-13,15H,3-8H2,1-2H3/t9-,10+,12-/m0/s1
InChIKeyOJAKQWNAQAVMGM-UMNHJUIQSA-N
XLogP0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(cyclopropylamino)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 124669128
1-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43165752
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
1-(cyclopropylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775844
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 110905093
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
1-[(3-methylcyclopentyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111466677
1-[cyclopropylmethyl(methyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 75405278

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 124550922) is (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is C[C@@H]1CN(C[C@@H](O)CNC2CC2)C[C@H](C)O1.
What is the InChIKey of (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is OJAKQWNAQAVMGM-UMNHJUIQSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-14(7-10(2)16-9)8-12(15)5-13-11-3-4-11/h9-13,15H,3-8H2,1-2H3/t9-,10+,12-/m0/s1.
What are the key properties of (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 124550922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).