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

C14H28N2O2 — CID 98845810

IUPAC(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)CN(C)CC2CC2)C[C@@H](C)O1
InChIInChI=1S/C14H28N2O2/c1-11-6-16(7-12(2)18-11)10-14(17)9-15(3)8-13-4-5-13/h11-14,17H,4-10H2,1-3H3/t11-,12-,14+/m1/s1
InChIKeyDWZGBLBDLIMKTI-BZPMIXESSA-N
MW256.39 g/mol
LogP0.80
Rot. Bonds6

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

(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (PubChem CID 98845810) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
PubChem CID98845810
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol
SMILESC[C@@H]1CN(C[C@@H](O)CN(C)CC2CC2)C[C@@H](C)O1
InChIInChI=1S/C14H28N2O2/c1-11-6-16(7-12(2)18-11)10-14(17)9-15(3)8-13-4-5-13/h11-14,17H,4-10H2,1-3H3/t11-,12-,14+/m1/s1
InChIKeyDWZGBLBDLIMKTI-BZPMIXESSA-N
XLogP0.80
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[cyclopropylmethyl(methyl)amino]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 75405278
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
1-[cyclobutylmethyl(methyl)amino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111116685
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
1-(2,6-dimethylmorpholin-4-yl)-3-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-2-ol
CID 111335526
1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448880
(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 124550922
1-(2,6-dimethylmorpholin-4-yl)-3-(4-ethoxy-N-methylanilino)propan-2-ol
CID 111442515
1-[cyclopentylmethyl(methyl)amino]butan-2-ol
CID 63631897
1-(2,6-dimethylmorpholin-4-yl)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 110905093
1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 111462765
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol (CID 98845810) is (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is C[C@@H]1CN(C[C@@H](O)CN(C)CC2CC2)C[C@@H](C)O1.
What is the InChIKey of (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
The InChIKey is DWZGBLBDLIMKTI-BZPMIXESSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-6-16(7-12(2)18-11)10-14(17)9-15(3)8-13-4-5-13/h11-14,17H,4-10H2,1-3H3/t11-,12-,14+/m1/s1.
What are the key properties of (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol?
(2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[cyclopropylmethyl(methyl)amino]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-2-ol is sourced from PubChem (CID 98845810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).