2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine

C14H30N2O — CID 54985244

IUPAC2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
SMILESCCCOC1CCCN(C(C)(CN)C(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-9-17-13-7-6-8-16(10-13)14(4,11-15)12(2)3/h12-13H,5-11,15H2,1-4H3
InChIKeyQPJPUMKOIJOMOD-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds6

About 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine

2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine (PubChem CID 54985244) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
PubChem CID54985244
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
SMILESCCCOC1CCCN(C(C)(CN)C(C)C)C1
InChIInChI=1S/C14H30N2O/c1-5-9-17-13-7-6-8-16(10-13)14(4,11-15)12(2)3/h12-13H,5-11,15H2,1-4H3
InChIKeyQPJPUMKOIJOMOD-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine (CID 54985244) is 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine is CCCOC1CCCN(C(C)(CN)C(C)C)C1.
What is the InChIKey of 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The InChIKey is QPJPUMKOIJOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-9-17-13-7-6-8-16(10-13)14(4,11-15)12(2)3/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 54985244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).