2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline

C15H22N2O2 — CID 164636098

IUPAC2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline
SMILESCNc1ccccc1CN1CCO[C@]2(CCOC2)C1
InChIInChI=1S/C15H22N2O2/c1-16-14-5-3-2-4-13(14)10-17-7-9-19-15(11-17)6-8-18-12-15/h2-5,16H,6-12H2,1H3/t15-/m1/s1
InChIKeyIMYMWJCBFPEWIM-OAHLLOKOSA-N
MW262.35 g/mol
LogP1.72
Rot. Bonds3

About 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline

2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline (PubChem CID 164636098) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline.

Molecular Properties

Compound Name2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline
PubChem CID164636098
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline
SMILESCNc1ccccc1CN1CCO[C@]2(CCOC2)C1
InChIInChI=1S/C15H22N2O2/c1-16-14-5-3-2-4-13(14)10-17-7-9-19-15(11-17)6-8-18-12-15/h2-5,16H,6-12H2,1H3/t15-/m1/s1
InChIKeyIMYMWJCBFPEWIM-OAHLLOKOSA-N
XLogP1.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline?
The IUPAC name of 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline (CID 164636098) is 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline.
What is the SMILES notation for 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline?
The canonical SMILES for 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline is CNc1ccccc1CN1CCO[C@]2(CCOC2)C1.
What is the InChIKey of 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline?
The InChIKey is IMYMWJCBFPEWIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-14-5-3-2-4-13(14)10-17-7-9-19-15(11-17)6-8-18-12-15/h2-5,16H,6-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline?
2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline has a molecular weight of 262.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methyl]-N-methylaniline is sourced from PubChem (CID 164636098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).