9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane

C17H25BrN2 — CID 64946503

IUPAC9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1C(C)c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2/c1-13-11-19-17(8-3-4-9-17)12-20(13)14(2)15-6-5-7-16(18)10-15/h5-7,10,13-14,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyYLYYKCSPKNRVEY-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.12
Rot. Bonds2

About 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane

9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64946503) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64946503
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CNC2(CCCC2)CN1C(C)c1cccc(Br)c1
InChIInChI=1S/C17H25BrN2/c1-13-11-19-17(8-3-4-9-17)12-20(13)14(2)15-6-5-7-16(18)10-15/h5-7,10,13-14,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyYLYYKCSPKNRVEY-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-bromophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64953315
3-methyl-4-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64947987
2-[1-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 64939348
1-[1-(3-bromophenyl)ethyl]-5-ethyl-2-methylpiperazine
CID 64945730
1-[1-(3-fluorophenyl)ethyl]-2,5,5-trimethylpiperazine
CID 64948589
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246
9-(1-cyclopropylethyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64934634
9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
8-ethyl-9-[1-(4-methylphenyl)ethyl]-6,9-diazaspiro[4.5]decane
CID 64948229
8-methyl-9-(2-methylpentan-3-yl)-6,9-diazaspiro[4.5]decane
CID 64947965
2-[1-(3-bromophenyl)ethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60977143
4-(3-ethylpentan-2-yl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64941030

Frequently Asked Questions

What is the IUPAC name of 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 64946503) is 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane is CC1CNC2(CCCC2)CN1C(C)c1cccc(Br)c1.
What is the InChIKey of 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is YLYYKCSPKNRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-13-11-19-17(8-3-4-9-17)12-20(13)14(2)15-6-5-7-16(18)10-15/h5-7,10,13-14,19H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane?
9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 337.31 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(3-bromophenyl)ethyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64946503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).