4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane

C16H22Br2N2 — CID 64946246

IUPAC4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CNC2(CCCCC2)CN1c1ccc(Br)cc1Br
InChIInChI=1S/C16H22Br2N2/c1-12-10-19-16(7-3-2-4-8-16)11-20(12)15-6-5-13(17)9-14(15)18/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3
InChIKeyFHJHFAJUTLVOAV-UHFFFAOYSA-N
MW402.17 g/mol
LogP4.71
Rot. Bonds1

About 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane

4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64946246) has the molecular formula C16H22Br2N2 and a molecular weight of 402.17 g/mol. Its IUPAC name is 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64946246
Molecular FormulaC16H22Br2N2
Molecular Weight402.17 g/mol
Exact Mass400.01
IUPAC Name4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
SMILESCC1CNC2(CCCCC2)CN1c1ccc(Br)cc1Br
InChIInChI=1S/C16H22Br2N2/c1-12-10-19-16(7-3-2-4-8-16)11-20(12)15-6-5-13(17)9-14(15)18/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3
InChIKeyFHJHFAJUTLVOAV-UHFFFAOYSA-N
XLogP4.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.17
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
4-(4-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107617374
4-(2-bromo-3-chlorophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 103481704
4-(4-chloro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 107640021
4-(4-fluoro-2-iodophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 79772370
9-(4-chloro-2-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64947975
4-(2,5-dichloro-4-methylphenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 104728489
9-(4-methoxyphenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64930155
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934711
8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
CID 64934883
4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane (CID 64946246) is 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is CC1CNC2(CCCCC2)CN1c1ccc(Br)cc1Br.
What is the InChIKey of 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is FHJHFAJUTLVOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2/c1-12-10-19-16(7-3-2-4-8-16)11-20(12)15-6-5-13(17)9-14(15)18/h5-6,9,12,19H,2-4,7-8,10-11H2,1H3.
What are the key properties of 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane?
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 402.17 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64946246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).