N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine

C13H21BrN2O — CID 63638455

IUPACN-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1ccc(Br)o1)C1CCCNC1
InChIInChI=1S/C13H21BrN2O/c1-2-8-16(11-4-3-7-15-9-11)10-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyAZOQIDUALXWBMS-UHFFFAOYSA-N
MW301.23 g/mol
LogP3.01
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine

N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine (PubChem CID 63638455) has the molecular formula C13H21BrN2O and a molecular weight of 301.23 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
PubChem CID63638455
Molecular FormulaC13H21BrN2O
Molecular Weight301.23 g/mol
Exact Mass300.08
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1ccc(Br)o1)C1CCCNC1
InChIInChI=1S/C13H21BrN2O/c1-2-8-16(11-4-3-7-15-9-11)10-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyAZOQIDUALXWBMS-UHFFFAOYSA-N
XLogP3.01
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperidin-3-amine
CID 63637151
N-ethyl-N-propylpiperidin-3-amine
CID 43317075
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-[(5-ethylfuran-2-yl)methyl]-N-propylazetidin-3-amine
CID 66182012
N-[(5-nitrofuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63301113
N-[(2-methylpyrazol-3-yl)methyl]-N-propylpiperidin-3-amine
CID 63637068
N-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylpyrrolidin-3-amine
CID 63304555
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
N-propyl-N-[(2-propylpyrazol-3-yl)methyl]piperidin-3-amine
CID 114556340
N-(1,3-benzoxazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637335

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine (CID 63638455) is N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1ccc(Br)o1)C1CCCNC1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is AZOQIDUALXWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O/c1-2-8-16(11-4-3-7-15-9-11)10-12-5-6-13(14)17-12/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine?
N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 301.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63638455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).