1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine

C17H29N3O — CID 63171849

IUPAC1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCC(N3CCCCC3)C2)o1
InChIInChI=1S/C17H29N3O/c1-13-6-7-16(21-13)17(14(2)18)20-11-8-15(12-20)19-9-4-3-5-10-19/h6-7,14-15,17H,3-5,8-12,18H2,1-2H3
InChIKeyCOLIOBCEXSVIJZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.54
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine

1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine (PubChem CID 63171849) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine
PubChem CID63171849
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine
SMILESCc1ccc(C(C(C)N)N2CCC(N3CCCCC3)C2)o1
InChIInChI=1S/C17H29N3O/c1-13-6-7-16(21-13)17(14(2)18)20-11-8-15(12-20)19-9-4-3-5-10-19/h6-7,14-15,17H,3-5,8-12,18H2,1-2H3
InChIKeyCOLIOBCEXSVIJZ-UHFFFAOYSA-N
XLogP2.54
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine (CID 63171849) is 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine is Cc1ccc(C(C(C)N)N2CCC(N3CCCCC3)C2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine?
The InChIKey is COLIOBCEXSVIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-6-7-16(21-13)17(14(2)18)20-11-8-15(12-20)19-9-4-3-5-10-19/h6-7,14-15,17H,3-5,8-12,18H2,1-2H3.
What are the key properties of 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine?
1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-2-amine is sourced from PubChem (CID 63171849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).