6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

C18H27BrN2 — CID 64837716

IUPAC6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(Cc2cccc(Br)c2)C2(CCCC2)CN1
InChIInChI=1S/C18H27BrN2/c1-14(2)17-12-21(11-15-6-5-7-16(19)10-15)18(13-20-17)8-3-4-9-18/h5-7,10,14,17,20H,3-4,8-9,11-13H2,1-2H3
InChIKeyPBOHYTWAMYGFIF-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.19
Rot. Bonds3

About 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane

6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (PubChem CID 64837716) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
PubChem CID64837716
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
SMILESCC(C)C1CN(Cc2cccc(Br)c2)C2(CCCC2)CN1
InChIInChI=1S/C18H27BrN2/c1-14(2)17-12-21(11-15-6-5-7-16(19)10-15)18(13-20-17)8-3-4-9-18/h5-7,10,14,17,20H,3-4,8-9,11-13H2,1-2H3
InChIKeyPBOHYTWAMYGFIF-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-chlorophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64838297
8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64840047
6-[(4-bromophenyl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64845332
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
8-propan-2-yl-6-propyl-6,9-diazaspiro[4.5]decane
CID 64839855
1-[(3-bromophenyl)methyl]-2-cyclopropyl-5-propan-2-ylpiperazine
CID 64838844
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
6-[2-(2-methylpyrazol-3-yl)ethyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 103016334
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 65461470
1-(2-ethylsulfonylethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 106732916
6-benzyl-8-phenyl-6,9-diazaspiro[4.5]decane
CID 64877476
1-[(3-bromophenyl)methyl]-3-methyl-1,4-diazepane
CID 64859026

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane (CID 64837716) is 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is CC(C)C1CN(Cc2cccc(Br)c2)C2(CCCC2)CN1.
What is the InChIKey of 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
The InChIKey is PBOHYTWAMYGFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14(2)17-12-21(11-15-6-5-7-16(19)10-15)18(13-20-17)8-3-4-9-18/h5-7,10,14,17,20H,3-4,8-9,11-13H2,1-2H3.
What are the key properties of 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane?
6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane has a molecular weight of 351.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64837716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).