10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane

C16H23BrN2 — CID 64950005

IUPAC10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
SMILESCc1ccc(N2CCCNC3(CCCC3)C2)cc1Br
InChIInChI=1S/C16H23BrN2/c1-13-5-6-14(11-15(13)17)19-10-4-9-18-16(12-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3
InChIKeyOUEYURMOPOCGIY-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.87
Rot. Bonds1

About 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane

10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane (PubChem CID 64950005) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
PubChem CID64950005
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
SMILESCc1ccc(N2CCCNC3(CCCC3)C2)cc1Br
InChIInChI=1S/C16H23BrN2/c1-13-5-6-14(11-15(13)17)19-10-4-9-18-16(12-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3
InChIKeyOUEYURMOPOCGIY-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64942821
10-(4-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64943378
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane
CID 65429942
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935
4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049
11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
CID 64944299
10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
CID 114840945
11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
CID 64943004
10-(4-bromo-2-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64943983
9-(2,3-dihydro-1H-inden-5-yl)-6,9-diazaspiro[4.5]decane
CID 64926161

Frequently Asked Questions

What is the IUPAC name of 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane (CID 64950005) is 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane is Cc1ccc(N2CCCNC3(CCCC3)C2)cc1Br.
What is the InChIKey of 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane?
The InChIKey is OUEYURMOPOCGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-13-5-6-14(11-15(13)17)19-10-4-9-18-16(12-19)7-2-3-8-16/h5-6,11,18H,2-4,7-10,12H2,1H3.
What are the key properties of 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane?
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane has a molecular weight of 323.28 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 64950005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).