(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C9H18N2O — CID 89116885

IUPAC(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCOCCN1C[C@@H]2C[C@H]1CN2C
InChIInChI=1S/C9H18N2O/c1-10-6-9-5-8(10)7-11(9)3-4-12-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyGWRWFGBFKIIFEQ-IUCAKERBSA-N
MW170.26 g/mol
LogP0.02
Rot. Bonds3

About (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 89116885) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID89116885
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCOCCN1C[C@@H]2C[C@H]1CN2C
InChIInChI=1S/C9H18N2O/c1-10-6-9-5-8(10)7-11(9)3-4-12-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyGWRWFGBFKIIFEQ-IUCAKERBSA-N
XLogP0.02
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S)-1-ethylpyrrolidin-3-yl]morpholine
CID 10607561
4-[(1-Methylpyrrolidin-2-yl)methyl]morpholine
CID 13023581
4-{[(2S)-1-methylpyrrolidin-2-yl]methyl}morpholine
CID 13023582
2-(5-Methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol
CID 16639277
4-(1-Methylpyrrolidin-3-yl)morpholine
CID 18723163
2,5-Diazabicyclo[2.2.1]heptane-2,5-diethanol
CID 45115673
1-(2-Methoxyethyl)-4-pyrrolidin-1-ylpiperidine
CID 53516152
4-[(1-Butylpyrrolidin-2-yl)methyl]morpholine
CID 54021094
4-[(3S)-1-methylpyrrolidin-3-yl]morpholine
CID 57691500
4-[(3R)-1-methylpyrrolidin-3-yl]morpholine
CID 57691578
2-(5-Tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanol
CID 58311492
2-Tert-butyl-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 58311734

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 89116885) is (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is COCCN1C[C@@H]2C[C@H]1CN2C.
What is the InChIKey of (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is GWRWFGBFKIIFEQ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-6-9-5-8(10)7-11(9)3-4-12-2/h8-9H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
(1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 170.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 89116885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).