N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline

C16H23NO2 — CID 79911910

IUPACN-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
SMILESCNc1ccc(OC2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-17-13-4-6-14(7-5-13)19-15-8-11-18-16(12-15)9-2-3-10-16/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyCPWAXOKJWFPJSV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.60
Rot. Bonds3

About N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline

N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline (PubChem CID 79911910) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline.

Molecular Properties

Compound NameN-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
PubChem CID79911910
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
SMILESCNc1ccc(OC2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C16H23NO2/c1-17-13-4-6-14(7-5-13)19-15-8-11-18-16(12-15)9-2-3-10-16/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyCPWAXOKJWFPJSV-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
CID 79899819
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79904986
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79905115
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
9-(4-bromo-3,5-dimethylphenoxy)-6-oxaspiro[4.5]decane
CID 107723955
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555
4-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]butan-2-ol
CID 79899058

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The IUPAC name of N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline (CID 79911910) is N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline.
What is the SMILES notation for N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The canonical SMILES for N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline is CNc1ccc(OC2CCOC3(CCCC3)C2)cc1.
What is the InChIKey of N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The InChIKey is CPWAXOKJWFPJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-17-13-4-6-14(7-5-13)19-15-8-11-18-16(12-15)9-2-3-10-16/h4-7,15,17H,2-3,8-12H2,1H3.
What are the key properties of N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline has a molecular weight of 261.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline is sourced from PubChem (CID 79911910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).