6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

C16H23BrN2 — CID 64845332

IUPAC6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CN(Cc2ccc(Br)cc2)C2(CCCC2)CN1
InChIInChI=1S/C16H23BrN2/c1-13-10-19(11-14-4-6-15(17)7-5-14)16(12-18-13)8-2-3-9-16/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyUBUPCSWSJBATPX-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.56
Rot. Bonds2

About 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane

6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (PubChem CID 64845332) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
PubChem CID64845332
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
SMILESCC1CN(Cc2ccc(Br)cc2)C2(CCCC2)CN1
InChIInChI=1S/C16H23BrN2/c1-13-10-19(11-14-4-6-15(17)7-5-14)16(12-18-13)8-2-3-9-16/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyUBUPCSWSJBATPX-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane (CID 64845332) is 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is CC1CN(Cc2ccc(Br)cc2)C2(CCCC2)CN1.
What is the InChIKey of 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
The InChIKey is UBUPCSWSJBATPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-13-10-19(11-14-4-6-15(17)7-5-14)16(12-18-13)8-2-3-9-16/h4-7,13,18H,2-3,8-12H2,1H3.
What are the key properties of 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane?
6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane has a molecular weight of 323.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64845332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).