(1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane

C20H26N2O — CID 133125358

IUPAC(1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane
SMILESCOc1ccc2ccccc2c1CN1C[C@@H]2CC[C@H]1CN(C)C2
InChIInChI=1S/C20H26N2O/c1-21-11-15-7-9-17(13-21)22(12-15)14-19-18-6-4-3-5-16(18)8-10-20(19)23-2/h3-6,8,10,15,17H,7,9,11-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyIILXVIMQBOLBSO-WBVHZDCISA-N
MW310.44 g/mol
LogP3.37
Rot. Bonds3

About (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane

(1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 133125358) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane
PubChem CID133125358
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane
SMILESCOc1ccc2ccccc2c1CN1C[C@@H]2CC[C@H]1CN(C)C2
InChIInChI=1S/C20H26N2O/c1-21-11-15-7-9-17(13-21)22(12-15)14-19-18-6-4-3-5-16(18)8-10-20(19)23-2/h3-6,8,10,15,17H,7,9,11-14H2,1-2H3/t15-,17+/m1/s1
InChIKeyIILXVIMQBOLBSO-WBVHZDCISA-N
XLogP3.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane (CID 133125358) is (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane is COc1ccc2ccccc2c1CN1C[C@@H]2CC[C@H]1CN(C)C2.
What is the InChIKey of (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is IILXVIMQBOLBSO-WBVHZDCISA-N. The full InChI is InChI=1S/C20H26N2O/c1-21-11-15-7-9-17(13-21)22(12-15)14-19-18-6-4-3-5-16(18)8-10-20(19)23-2/h3-6,8,10,15,17H,7,9,11-14H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane?
(1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 310.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-[(2-methoxynaphthalen-1-yl)methyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 133125358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).