N-[(5-bromofuran-2-yl)methyl]pentan-2-amine

C10H16BrNO — CID 43177748

IUPACN-[(5-bromofuran-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccc(Br)o1
InChIInChI=1S/C10H16BrNO/c1-3-4-8(2)12-7-9-5-6-10(11)13-9/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyPHUVJPSOLBXLBL-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.32
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]pentan-2-amine

N-[(5-bromofuran-2-yl)methyl]pentan-2-amine (PubChem CID 43177748) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]pentan-2-amine
PubChem CID43177748
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[(5-bromofuran-2-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1ccc(Br)o1
InChIInChI=1S/C10H16BrNO/c1-3-4-8(2)12-7-9-5-6-10(11)13-9/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyPHUVJPSOLBXLBL-UHFFFAOYSA-N
XLogP3.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]pentan-2-amine (CID 43177748) is N-[(5-bromofuran-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]pentan-2-amine is CCCC(C)NCc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]pentan-2-amine?
The InChIKey is PHUVJPSOLBXLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-3-4-8(2)12-7-9-5-6-10(11)13-9/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]pentan-2-amine?
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine has a molecular weight of 246.15 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 43177748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).