1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C16H23BrN2O2 — CID 31559165

IUPAC1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cc3c(cc2Br)OCO3)CCCC1
InChIInChI=1S/C16H23BrN2O2/c1-19(2)16(5-3-4-6-16)10-18-9-12-7-14-15(8-13(12)17)21-11-20-14/h7-8,18H,3-6,9-11H2,1-2H3
InChIKeyPITIMOLHOWJGFV-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.14
Rot. Bonds5

About 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 31559165) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID31559165
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2cc3c(cc2Br)OCO3)CCCC1
InChIInChI=1S/C16H23BrN2O2/c1-19(2)16(5-3-4-6-16)10-18-9-12-7-14-15(8-13(12)17)21-11-20-14/h7-8,18H,3-6,9-11H2,1-2H3
InChIKeyPITIMOLHOWJGFV-UHFFFAOYSA-N
XLogP3.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 115281056
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide
CID 17488975
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365576
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methoxyethanamine
CID 43391894
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethanamine
CID 60685789
1-[[(4-bromo-5-methylthiophen-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 102837189
1-[[(4,5-dibromofuran-2-yl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105414898
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-[2-(dimethylamino)ethoxy]ethanamine
CID 103952766
1-(6-bromo-1,3-benzodioxol-5-yl)-N-methoxymethanamine
CID 115279443
N'-[(6-bromo-1,3-benzodioxol-5-yl)methyl]propane-1,3-diamine
CID 60887613
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3-fluoropropan-1-amine
CID 115733052

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 31559165) is 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2cc3c(cc2Br)OCO3)CCCC1.
What is the InChIKey of 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is PITIMOLHOWJGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-19(2)16(5-3-4-6-16)10-18-9-12-7-14-15(8-13(12)17)21-11-20-14/h7-8,18H,3-6,9-11H2,1-2H3.
What are the key properties of 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 355.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-bromo-1,3-benzodioxol-5-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 31559165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).