3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine

C11H16BrNO — CID 126999342

IUPAC3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(Cc2coc(Br)c2)C1
InChIInChI=1S/C11H16BrNO/c12-11-6-9(7-14-11)4-8-2-1-3-10(13)5-8/h6-8,10H,1-5,13H2
InChIKeyJWUJQNKRHRALEZ-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.10
Rot. Bonds2

About 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine

3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine (PubChem CID 126999342) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine
PubChem CID126999342
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(Cc2coc(Br)c2)C1
InChIInChI=1S/C11H16BrNO/c12-11-6-9(7-14-11)4-8-2-1-3-10(13)5-8/h6-8,10H,1-5,13H2
InChIKeyJWUJQNKRHRALEZ-UHFFFAOYSA-N
XLogP3.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine (CID 126999342) is 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine is NC1CCCC(Cc2coc(Br)c2)C1.
What is the InChIKey of 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is JWUJQNKRHRALEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c12-11-6-9(7-14-11)4-8-2-1-3-10(13)5-8/h6-8,10H,1-5,13H2.
What are the key properties of 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine?
3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 258.16 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 126999342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).