4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

C18H27BrN2 — CID 64934711

IUPAC4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1c1ccccc1Br
InChIInChI=1S/C18H27BrN2/c1-14(2)17-12-20-18(10-6-3-7-11-18)13-21(17)16-9-5-4-8-15(16)19/h4-5,8-9,14,17,20H,3,6-7,10-13H2,1-2H3
InChIKeyNZABPAAGUCAFTA-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.59
Rot. Bonds2

About 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane

4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (PubChem CID 64934711) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
PubChem CID64934711
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
SMILESCC(C)C1CNC2(CCCCC2)CN1c1ccccc1Br
InChIInChI=1S/C18H27BrN2/c1-14(2)17-12-20-18(10-6-3-7-11-18)13-21(17)16-9-5-4-8-15(16)19/h4-5,8-9,14,17,20H,3,6-7,10-13H2,1-2H3
InChIKeyNZABPAAGUCAFTA-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64935285
9-(2-bromophenyl)-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64934134
4-(4-chlorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64934091
4-(3-fluorophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 64932927
9-(4-chloro-2-fluorophenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64948555
9-(3-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64932826
9-(3,4-dimethylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64931469
9-(1-methylpyrazol-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79785950
9-(3-fluoro-5-methylphenyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 79046276
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246
1-propan-2-ylspiro[4,5-dihydro-2H-1,4-benzodiazepine-3,1'-cyclohexane]
CID 79909895
1-(2,4-dibromophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946247

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane (CID 64934711) is 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is CC(C)C1CNC2(CCCCC2)CN1c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
The InChIKey is NZABPAAGUCAFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14(2)17-12-20-18(10-6-3-7-11-18)13-21(17)16-9-5-4-8-15(16)19/h4-5,8-9,14,17,20H,3,6-7,10-13H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane?
4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane has a molecular weight of 351.33 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64934711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).