[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane

C13H27NO2 — CID 177216803

IUPAC[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.CC1CN(CC2(CO)CC2)CC(C)O1
InChIInChI=1S/C11H21NO2.C2H6/c1-9-5-12(6-10(2)14-9)7-11(8-13)3-4-11;1-2/h9-10,13H,3-8H2,1-2H3;1-2H3
InChIKeyBSVPYQRIFOSMBZ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.89
Rot. Bonds3

About [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane

[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane (PubChem CID 177216803) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane.

Molecular Properties

Compound Name[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane
PubChem CID177216803
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane
SMILESCC.CC1CN(CC2(CO)CC2)CC(C)O1
InChIInChI=1S/C11H21NO2.C2H6/c1-9-5-12(6-10(2)14-9)7-11(8-13)3-4-11;1-2/h9-10,13H,3-8H2,1-2H3;1-2H3
InChIKeyBSVPYQRIFOSMBZ-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane with MolForge

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Related Compounds

[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102936478
ethane;(2S,6R)-4-[[1-(methoxymethyl)cyclopropyl]methyl]-2,6-dimethylmorpholine
CID 177009766
2-[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]ethanethioamide
CID 65498498
[1-[[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]methyl]cyclopropyl]methanol
CID 177326111
(2R,6S)-4-[[1-(bromomethyl)cyclohexyl]methyl]-2,6-dimethylmorpholine
CID 104959997
[1-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]cyclobutyl]methanethiol
CID 104961708
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methanol
CID 79184222
ethane;(2S,6S)-2-ethyl-4-[(1-ethylcyclopropyl)methyl]-6-methylmorpholine
CID 176951767
[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanol
CID 79183947
[4-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-methylmorpholin-2-yl]methanol
CID 102932273
ethane;(1S,5R)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 177009993
[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
CID 62391374

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane?
The IUPAC name of [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane (CID 177216803) is [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane.
What is the SMILES notation for [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane?
The canonical SMILES for [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane is CC.CC1CN(CC2(CO)CC2)CC(C)O1.
What is the InChIKey of [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane?
The InChIKey is BSVPYQRIFOSMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C2H6/c1-9-5-12(6-10(2)14-9)7-11(8-13)3-4-11;1-2/h9-10,13H,3-8H2,1-2H3;1-2H3.
What are the key properties of [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane?
[1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane has a molecular weight of 229.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dimethylmorpholin-4-yl)methyl]cyclopropyl]methanol;ethane is sourced from PubChem (CID 177216803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).