1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine

C17H30N2O — CID 63157212

IUPAC1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCCC1(CC)CCN(C(c2ccc(C)o2)C(C)N)CC1
InChIInChI=1S/C17H30N2O/c1-5-17(6-2)9-11-19(12-10-17)16(14(4)18)15-8-7-13(3)20-15/h7-8,14,16H,5-6,9-12,18H2,1-4H3
InChIKeyBOXIJJHKYMHHJT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.88
Rot. Bonds5

About 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine

1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine (PubChem CID 63157212) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
PubChem CID63157212
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCCC1(CC)CCN(C(c2ccc(C)o2)C(C)N)CC1
InChIInChI=1S/C17H30N2O/c1-5-17(6-2)9-11-19(12-10-17)16(14(4)18)15-8-7-13(3)20-15/h7-8,14,16H,5-6,9-12,18H2,1-4H3
InChIKeyBOXIJJHKYMHHJT-UHFFFAOYSA-N
XLogP3.88
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine?
The IUPAC name of 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine (CID 63157212) is 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine?
The canonical SMILES for 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine is CCC1(CC)CCN(C(c2ccc(C)o2)C(C)N)CC1.
What is the InChIKey of 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine?
The InChIKey is BOXIJJHKYMHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-17(6-2)9-11-19(12-10-17)16(14(4)18)15-8-7-13(3)20-15/h7-8,14,16H,5-6,9-12,18H2,1-4H3.
What are the key properties of 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine?
1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylpiperidin-1-yl)-1-(5-methylfuran-2-yl)propan-2-amine is sourced from PubChem (CID 63157212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).