(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane

C15H25N3O — CID 77098146

IUPAC(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
SMILESCCCn1ccnc1CN1C[C@H]2CC[C@@H](C1)C2OC
InChIInChI=1S/C15H25N3O/c1-3-7-18-8-6-16-14(18)11-17-9-12-4-5-13(10-17)15(12)19-2/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3/t12-,13+,15?
InChIKeyYBLVODFHHHLCKC-NNQSOWQGSA-N
MW263.38 g/mol
LogP2.15
Rot. Bonds5

About (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane

(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane (PubChem CID 77098146) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
PubChem CID77098146
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
SMILESCCCn1ccnc1CN1C[C@H]2CC[C@@H](C1)C2OC
InChIInChI=1S/C15H25N3O/c1-3-7-18-8-6-16-14(18)11-17-9-12-4-5-13(10-17)15(12)19-2/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3/t12-,13+,15?
InChIKeyYBLVODFHHHLCKC-NNQSOWQGSA-N
XLogP2.15
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

(3S,4R)-4-(hydroxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 56899943
4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 156603463
(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 99932022
N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133205
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 99931486
(3R,4S)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 72912402
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
8-methoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-azabicyclo[3.2.1]octane
CID 156608734
2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
(3R)-1-[(1-propylimidazol-2-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997611
(3aR,6R,7aS)-3a,6-dimethoxy-1-[(1-propylimidazol-2-yl)methyl]-3,4,5,6,7,7a-hexahydro-2H-indole
CID 119069058
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane (CID 77098146) is (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane is CCCn1ccnc1CN1C[C@H]2CC[C@@H](C1)C2OC.
What is the InChIKey of (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane?
The InChIKey is YBLVODFHHHLCKC-NNQSOWQGSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-7-18-8-6-16-14(18)11-17-9-12-4-5-13(10-17)15(12)19-2/h6,8,12-13,15H,3-5,7,9-11H2,1-2H3/t12-,13+,15?.
What are the key properties of (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane?
(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane has a molecular weight of 263.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 77098146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).