N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine

C12H18Br2N2O — CID 107172131

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1cc(Br)c(Br)o1)C1CCCNCC1
InChIInChI=1S/C12H18Br2N2O/c1-16(9-3-2-5-15-6-4-9)8-10-7-11(13)12(14)17-10/h7,9,15H,2-6,8H2,1H3
InChIKeyZDHPIGCAOKDOQK-UHFFFAOYSA-N
MW366.10 g/mol
LogP3.38
Rot. Bonds3

About N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine

N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine (PubChem CID 107172131) has the molecular formula C12H18Br2N2O and a molecular weight of 366.10 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
PubChem CID107172131
Molecular FormulaC12H18Br2N2O
Molecular Weight366.10 g/mol
Exact Mass363.98
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1cc(Br)c(Br)o1)C1CCCNCC1
InChIInChI=1S/C12H18Br2N2O/c1-16(9-3-2-5-15-6-4-9)8-10-7-11(13)12(14)17-10/h7,9,15H,2-6,8H2,1H3
InChIKeyZDHPIGCAOKDOQK-UHFFFAOYSA-N
XLogP3.38
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.10
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730
N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
CID 107172051
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]azepan-4-amine
CID 107171992
N-[(4,5-dibromofuran-2-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625020
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913450
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-4-amine
CID 104974370
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
CID 104974360
4-[[azepan-4-yl(methyl)amino]methyl]-2-fluorophenol
CID 107692170

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine (CID 107172131) is N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine is CN(Cc1cc(Br)c(Br)o1)C1CCCNCC1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine?
The InChIKey is ZDHPIGCAOKDOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O/c1-16(9-3-2-5-15-6-4-9)8-10-7-11(13)12(14)17-10/h7,9,15H,2-6,8H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine has a molecular weight of 366.10 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine is sourced from PubChem (CID 107172131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).