2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine

C14H28N2O — CID 113483694

IUPAC2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine
SMILESCC1CC(C)CN(C(C)(CN)C2CCOC2)C1
InChIInChI=1S/C14H28N2O/c1-11-6-12(2)8-16(7-11)14(3,10-15)13-4-5-17-9-13/h11-13H,4-10,15H2,1-3H3
InChIKeyIJCABBPEYJGCRY-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.72
Rot. Bonds3

About 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine

2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine (PubChem CID 113483694) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine
PubChem CID113483694
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine
SMILESCC1CC(C)CN(C(C)(CN)C2CCOC2)C1
InChIInChI=1S/C14H28N2O/c1-11-6-12(2)8-16(7-11)14(3,10-15)13-4-5-17-9-13/h11-13H,4-10,15H2,1-3H3
InChIKeyIJCABBPEYJGCRY-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine (CID 113483694) is 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine is CC1CC(C)CN(C(C)(CN)C2CCOC2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine?
The InChIKey is IJCABBPEYJGCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-6-12(2)8-16(7-11)14(3,10-15)13-4-5-17-9-13/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine?
2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-2-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 113483694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).