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

C16H28N2O — CID 83053523

IUPAC1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCCCN1C(c1ccc(C)o1)C(C)N
InChIInChI=1S/C16H28N2O/c1-4-7-14-8-5-6-11-18(14)16(13(3)17)15-10-9-12(2)19-15/h9-10,13-14,16H,4-8,11,17H2,1-3H3
InChIKeyUAKHIFXDRSNGRN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.63
Rot. Bonds5

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

1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine (PubChem CID 83053523) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
PubChem CID83053523
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine
SMILESCCCC1CCCCN1C(c1ccc(C)o1)C(C)N
InChIInChI=1S/C16H28N2O/c1-4-7-14-8-5-6-11-18(14)16(13(3)17)15-10-9-12(2)19-15/h9-10,13-14,16H,4-8,11,17H2,1-3H3
InChIKeyUAKHIFXDRSNGRN-UHFFFAOYSA-N
XLogP3.63
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.63
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)propan-2-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine (CID 83053523) is 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine is CCCC1CCCCN1C(c1ccc(C)o1)C(C)N.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
The InChIKey is UAKHIFXDRSNGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-7-14-8-5-6-11-18(14)16(13(3)17)15-10-9-12(2)19-15/h9-10,13-14,16H,4-8,11,17H2,1-3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine?
1-(5-methylfuran-2-yl)-1-(2-propylpiperidin-1-yl)propan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.63, 5 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)propan-2-amine is sourced from PubChem (CID 83053523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).