1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine

C17H30N2O — CID 83053424

IUPAC1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
SMILESCCCC1CCCCN1C(c1ccc(C)o1)C(N)CC
InChIInChI=1S/C17H30N2O/c1-4-8-14-9-6-7-12-19(14)17(15(18)5-2)16-11-10-13(3)20-16/h10-11,14-15,17H,4-9,12,18H2,1-3H3
InChIKeyJCEOPEOLWDYQLA-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.02
Rot. Bonds6

About 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine

1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine (PubChem CID 83053424) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
PubChem CID83053424
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine
SMILESCCCC1CCCCN1C(c1ccc(C)o1)C(N)CC
InChIInChI=1S/C17H30N2O/c1-4-8-14-9-6-7-12-19(14)17(15(18)5-2)16-11-10-13(3)20-16/h10-11,14-15,17H,4-9,12,18H2,1-3H3
InChIKeyJCEOPEOLWDYQLA-UHFFFAOYSA-N
XLogP4.02
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine (CID 83053424) is 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine is CCCC1CCCCN1C(c1ccc(C)o1)C(N)CC.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine?
The InChIKey is JCEOPEOLWDYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-8-14-9-6-7-12-19(14)17(15(18)5-2)16-11-10-13(3)20-16/h10-11,14-15,17H,4-9,12,18H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine?
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 83053424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).