4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane

C18H27BrN2 — CID 64878397

IUPAC4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1Cc1ccccc1Br
InChIInChI=1S/C18H27BrN2/c1-17(2)13-20-18(10-6-3-7-11-18)14-21(17)12-15-8-4-5-9-16(15)19/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3
InChIKeyDLLYZOVQALPYNV-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.34
Rot. Bonds2

About 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane

4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64878397) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
PubChem CID64878397
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane
SMILESCC1(C)CNC2(CCCCC2)CN1Cc1ccccc1Br
InChIInChI=1S/C18H27BrN2/c1-17(2)13-20-18(10-6-3-7-11-18)14-21(17)12-15-8-4-5-9-16(15)19/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3
InChIKeyDLLYZOVQALPYNV-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane (CID 64878397) is 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is CC1(C)CNC2(CCCCC2)CN1Cc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is DLLYZOVQALPYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-17(2)13-20-18(10-6-3-7-11-18)14-21(17)12-15-8-4-5-9-16(15)19/h4-5,8-9,20H,3,6-7,10-14H2,1-2H3.
What are the key properties of 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane?
4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 351.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methyl]-3,3-dimethyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64878397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).