8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane

C19H30N2O — CID 142573439

IUPAC8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane
SMILESCCCCN1CCC2(CC1)CCN(c1ccccc1OC)C2
InChIInChI=1S/C19H30N2O/c1-3-4-12-20-13-9-19(10-14-20)11-15-21(16-19)17-7-5-6-8-18(17)22-2/h5-8H,3-4,9-16H2,1-2H3
InChIKeyFXUMDUOHWITHIX-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.79
Rot. Bonds5

About 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane

8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane (PubChem CID 142573439) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane
PubChem CID142573439
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane
SMILESCCCCN1CCC2(CC1)CCN(c1ccccc1OC)C2
InChIInChI=1S/C19H30N2O/c1-3-4-12-20-13-9-19(10-14-20)11-15-21(16-19)17-7-5-6-8-18(17)22-2/h5-8H,3-4,9-16H2,1-2H3
InChIKeyFXUMDUOHWITHIX-UHFFFAOYSA-N
XLogP3.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
3-(2-methoxyphenyl)-9-[3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropyl]-3,9-diazaspiro[5.5]undecane
CID 155539413
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 115041955
8-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decan-9-one
CID 14280603
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
3,3-diethyl-1-(2-methoxyphenyl)piperazine
CID 64918499
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 10692544
1-[3-(dimethylsulfamoylamino)propyl]-4-(2-methoxyphenyl)piperazine
CID 110284680
2-ethyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]phthalazine-1,4-dione
CID 110184124

Frequently Asked Questions

What is the IUPAC name of 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane (CID 142573439) is 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane is CCCCN1CCC2(CC1)CCN(c1ccccc1OC)C2.
What is the InChIKey of 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is FXUMDUOHWITHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-4-12-20-13-9-19(10-14-20)11-15-21(16-19)17-7-5-6-8-18(17)22-2/h5-8H,3-4,9-16H2,1-2H3.
What are the key properties of 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane?
8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 302.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-2-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 142573439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).