1-(5-bromofuran-2-yl)cyclohexan-1-amine

C10H14BrNO — CID 82664571

IUPAC1-(5-bromofuran-2-yl)cyclohexan-1-amine
SMILESNC1(c2ccc(Br)o2)CCCCC1
InChIInChI=1S/C10H14BrNO/c11-9-5-4-8(13-9)10(12)6-2-1-3-7-10/h4-5H,1-3,6-7,12H2
InChIKeyNWQVCLYHCSUPPY-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.16
Rot. Bonds1

About 1-(5-bromofuran-2-yl)cyclohexan-1-amine

1-(5-bromofuran-2-yl)cyclohexan-1-amine (PubChem CID 82664571) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)cyclohexan-1-amine
PubChem CID82664571
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name1-(5-bromofuran-2-yl)cyclohexan-1-amine
SMILESNC1(c2ccc(Br)o2)CCCCC1
InChIInChI=1S/C10H14BrNO/c11-9-5-4-8(13-9)10(12)6-2-1-3-7-10/h4-5H,1-3,6-7,12H2
InChIKeyNWQVCLYHCSUPPY-UHFFFAOYSA-N
XLogP3.16
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-bromofuran-2-yl)cyclohexan-1-amine (CID 82664571) is 1-(5-bromofuran-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-bromofuran-2-yl)cyclohexan-1-amine is NC1(c2ccc(Br)o2)CCCCC1.
What is the InChIKey of 1-(5-bromofuran-2-yl)cyclohexan-1-amine?
The InChIKey is NWQVCLYHCSUPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-9-5-4-8(13-9)10(12)6-2-1-3-7-10/h4-5H,1-3,6-7,12H2.
What are the key properties of 1-(5-bromofuran-2-yl)cyclohexan-1-amine?
1-(5-bromofuran-2-yl)cyclohexan-1-amine has a molecular weight of 244.13 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 82664571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).