N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine

C15H32N2O — CID 55069671

IUPACN-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine
SMILESCCCOC1CCCN(C(CC)CNC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-5-10-18-15-8-7-9-17(12-15)14(6-2)11-16-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyVYICJRPBZGAIOP-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.65
Rot. Bonds8

About N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine

N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine (PubChem CID 55069671) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine
PubChem CID55069671
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine
SMILESCCCOC1CCCN(C(CC)CNC(C)C)C1
InChIInChI=1S/C15H32N2O/c1-5-10-18-15-8-7-9-17(12-15)14(6-2)11-16-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyVYICJRPBZGAIOP-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The IUPAC name of N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine (CID 55069671) is N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The canonical SMILES for N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine is CCCOC1CCCN(C(CC)CNC(C)C)C1.
What is the InChIKey of N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
The InChIKey is VYICJRPBZGAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-10-18-15-8-7-9-17(12-15)14(6-2)11-16-13(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine?
N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(3-propoxypiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 55069671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).