1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

C13H28N2O2 — CID 66336063

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CCOCC1(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)14-8-13(5,16)9-15-6-7-17-10-12(15,3)4/h11,14,16H,6-10H2,1-5H3
InChIKeyDATVJFIJMBHOIV-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds5

About 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 66336063) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID66336063
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1CCOCC1(C)C
InChIInChI=1S/C13H28N2O2/c1-11(2)14-8-13(5,16)9-15-6-7-17-10-12(15,3)4/h11,14,16H,6-10H2,1-5H3
InChIKeyDATVJFIJMBHOIV-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (CID 66336063) is 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)CN1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is DATVJFIJMBHOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)14-8-13(5,16)9-15-6-7-17-10-12(15,3)4/h11,14,16H,6-10H2,1-5H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66336063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).