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

C9H18N2O — CID 164971372

IUPAC(1R,4R)-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-/m1/s1
InChIKeyGWRWFGBFKIIFEQ-RKDXNWHRSA-N
MW170.26 g/mol
LogP0.02
Rot. Bonds3

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

(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 164971372) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID164971372
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(1R,4R)-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-/m1/s1
InChIKeyGWRWFGBFKIIFEQ-RKDXNWHRSA-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

(1R,4R)-2,5-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 134335538
2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptan-5-ol
CID 156546441
(1S,4S)-2-[2-(5,5-dimethylhexoxy)ethyl]-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane
CID 146521582
N-ethyl-2-[2-[(1S)-5-[2-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]ethanamine;molecular hydrogen
CID 142385800
(1S,4S)-2,5-dipropyl-2,5-diazabicyclo[2.2.1]heptane
CID 146942444
2-methyl-5-[(E)-2-methylbut-2-enyl]-2,5-diazabicyclo[2.2.1]heptane
CID 130242824
5-ethoxy-2-(2-methoxyethyl)-2-azabicyclo[2.2.1]heptane
CID 167291921
2-(3-chloro-4-propan-2-ylphenyl)-5-(2-methoxyethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 170569764
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine
CID 154684230
N,5-dimethyl-2,5-diazabicyclo[2.2.1]heptan-2-amine
CID 147224350
(1S,4S)-2-methyl-5-(2-methylbutan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 129035492

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 164971372) is (1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-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 (1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is GWRWFGBFKIIFEQ-RKDXNWHRSA-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-/m1/s1.
What are the key properties of (1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-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 (1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 164971372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).