(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol

C12H27NO4 — CID 95357959

IUPAC(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(CCOC)C[C@@H](O)COC(C)C
InChIInChI=1S/C12H27NO4/c1-11(2)17-10-12(14)9-13(5-7-15-3)6-8-16-4/h11-12,14H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyLSORSAXHXVHUMX-GFCCVEGCSA-N
MW249.35 g/mol
LogP0.37
Rot. Bonds11

About (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 95357959) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID95357959
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCOCCN(CCOC)C[C@@H](O)COC(C)C
InChIInChI=1S/C12H27NO4/c1-11(2)17-10-12(14)9-13(5-7-15-3)6-8-16-4/h11-12,14H,5-10H2,1-4H3/t12-/m1/s1
InChIKeyLSORSAXHXVHUMX-GFCCVEGCSA-N
XLogP0.37
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60635415
1-[2-methoxyethyl(3-methoxypropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 61035306
1-[bis(2-methoxyethyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991830
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
1-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 61059447
(2R)-1-[(2,4-difluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93162626
(2R)-1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 93161184
1-[(2-fluorophenyl)methyl-(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 24712861
1-[bis(2-phosphanyloxyethyl)amino]-3-methoxypropan-2-ol
CID 54197886
3-[bis(2-methoxyethyl)amino]propane-1,2-diol
CID 78907099
1-[bis(2-methylpropyl)amino]-3-propan-2-yloxypropan-2-ol
CID 60752269
methyl 3-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-(2-methoxyethyl)amino]propanoate
CID 106992885

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 95357959) is (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol is COCCN(CCOC)C[C@@H](O)COC(C)C.
What is the InChIKey of (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is LSORSAXHXVHUMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H27NO4/c1-11(2)17-10-12(14)9-13(5-7-15-3)6-8-16-4/h11-12,14H,5-10H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 0.37, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[bis(2-methoxyethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 95357959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).