1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol

C19H37N3O2 — CID 111512146

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
SMILESCC1CN(CC(O)CN2CCC3CCC(C2)N3C(C)C)CC(C)O1
InChIInChI=1S/C19H37N3O2/c1-14(2)22-17-5-6-18(22)11-20(8-7-17)12-19(23)13-21-9-15(3)24-16(4)10-21/h14-19,23H,5-13H2,1-4H3
InChIKeyUFWOKUMLGVAHDC-UHFFFAOYSA-N
MW339.52 g/mol
LogP1.40
Rot. Bonds5

About 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol

1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol (PubChem CID 111512146) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
PubChem CID111512146
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
SMILESCC1CN(CC(O)CN2CCC3CCC(C2)N3C(C)C)CC(C)O1
InChIInChI=1S/C19H37N3O2/c1-14(2)22-17-5-6-18(22)11-20(8-7-17)12-19(23)13-21-9-15(3)24-16(4)10-21/h14-19,23H,5-13H2,1-4H3
InChIKeyUFWOKUMLGVAHDC-UHFFFAOYSA-N
XLogP1.40
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
(2S)-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124826594
(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 124840010
1-[1-[(2R)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropyl]piperidin-4-yl]imidazolidin-2-one
CID 95582475
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
1-(2-chlorophenyl)-2-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanol
CID 111512129
1-(4,4-dimethylazepan-1-yl)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 111462765
1-(2,6-dimethylmorpholin-4-yl)-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489909
(2S)-1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 124550922
4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
CID 119139664
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-2-ol
CID 100730597
1-(2,6-dimethylmorpholin-4-yl)-3-(3-trimethoxysilylpropoxy)propan-2-ol
CID 90015661

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol (CID 111512146) is 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol is CC1CN(CC(O)CN2CCC3CCC(C2)N3C(C)C)CC(C)O1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
The InChIKey is UFWOKUMLGVAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-14(2)22-17-5-6-18(22)11-20(8-7-17)12-19(23)13-21-9-15(3)24-16(4)10-21/h14-19,23H,5-13H2,1-4H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol?
1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol has a molecular weight of 339.52 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol is sourced from PubChem (CID 111512146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).