N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine

C12H18Br2N2O — CID 62083631

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cc(Br)c(Br)o2)C1
InChIInChI=1S/C12H18Br2N2O/c1-2-16-5-3-4-9(8-16)15-7-10-6-11(13)12(14)17-10/h6,9,15H,2-5,7-8H2,1H3
InChIKeyYMFUBNIMSOBIFZ-UHFFFAOYSA-N
MW366.10 g/mol
LogP3.38
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine

N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine (PubChem CID 62083631) 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]-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine
PubChem CID62083631
Molecular FormulaC12H18Br2N2O
Molecular Weight366.10 g/mol
Exact Mass363.98
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NCc2cc(Br)c(Br)o2)C1
InChIInChI=1S/C12H18Br2N2O/c1-2-16-5-3-4-9(8-16)15-7-10-6-11(13)12(14)17-10/h6,9,15H,2-5,7-8H2,1H3
InChIKeyYMFUBNIMSOBIFZ-UHFFFAOYSA-N
XLogP3.38
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine (CID 62083631) is N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine is CCN1CCCC(NCc2cc(Br)c(Br)o2)C1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine?
The InChIKey is YMFUBNIMSOBIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2O/c1-2-16-5-3-4-9(8-16)15-7-10-6-11(13)12(14)17-10/h6,9,15H,2-5,7-8H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-ethylpiperidin-3-amine has a molecular weight of 366.10 g/mol, XLogP of 3.38, 4 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]-1-ethylpiperidin-3-amine is sourced from PubChem (CID 62083631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).