6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane

C18H26BrNO — CID 79913286

IUPAC6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC2(CCNCC2c2cccc(Br)c2)C(C)(C)O1
InChIInChI=1S/C18H26BrNO/c1-16(2)12-18(17(3,4)21-16)8-9-20-11-15(18)13-6-5-7-14(19)10-13/h5-7,10,15,20H,8-9,11-12H2,1-4H3
InChIKeyZUXYVUDDOKQPSQ-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.49
Rot. Bonds1

About 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane

6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 79913286) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID79913286
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
SMILESCC1(C)CC2(CCNCC2c2cccc(Br)c2)C(C)(C)O1
InChIInChI=1S/C18H26BrNO/c1-16(2)12-18(17(3,4)21-16)8-9-20-11-15(18)13-6-5-7-14(19)10-13/h5-7,10,15,20H,8-9,11-12H2,1-4H3
InChIKeyZUXYVUDDOKQPSQ-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane
CID 79913284
5-(3-bromophenyl)-9,9-dimethyl-3-azaspiro[5.5]undecane
CID 79433285
3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79430058
11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79432043
3-(3-bromophenyl)-4,4-diethylpiperidine
CID 79433788
5-(3-bromophenyl)-9-oxa-3-azaspiro[5.6]dodecane
CID 79433530
3-(3-bromophenyl)-4-ethyl-4-(2-methylbutyl)piperidine
CID 79432294
3-(3-bromophenyl)-4-heptyl-4-methylpiperidine
CID 79429997
5-(3-bromophenyl)-9-methyl-3,9-diazaspiro[5.6]dodecane
CID 79433528
5-(3-bromophenyl)-10-propan-2-yl-3-azaspiro[5.5]undecane
CID 107450706
5-(3-bromophenyl)-9-ethyl-3,9-diazaspiro[5.6]dodecane
CID 79431220
(2S)-2-(3-bromophenyl)morpholine
CID 28806253

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane (CID 79913286) is 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane is CC1(C)CC2(CCNCC2c2cccc(Br)c2)C(C)(C)O1.
What is the InChIKey of 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is ZUXYVUDDOKQPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-16(2)12-18(17(3,4)21-16)8-9-20-11-15(18)13-6-5-7-14(19)10-13/h5-7,10,15,20H,8-9,11-12H2,1-4H3.
What are the key properties of 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane?
6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 352.32 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-1,1,3,3-tetramethyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79913286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).