2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine

C14H30N2O2 — CID 66178255

IUPAC2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CC(C)CCC1C)OC
InChIInChI=1S/C14H30N2O2/c1-11-6-7-12(2)16(9-11)14(3,10-15)8-13(17-4)18-5/h11-13H,6-10,15H2,1-5H3
InChIKeyBSNDKUJINBAOIC-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.83
Rot. Bonds6

About 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine

2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (PubChem CID 66178255) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
PubChem CID66178255
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine
SMILESCOC(CC(C)(CN)N1CC(C)CCC1C)OC
InChIInChI=1S/C14H30N2O2/c1-11-6-7-12(2)16(9-11)14(3,10-15)8-13(17-4)18-5/h11-13H,6-10,15H2,1-5H3
InChIKeyBSNDKUJINBAOIC-UHFFFAOYSA-N
XLogP1.83
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine (CID 66178255) is 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is COC(CC(C)(CN)N1CC(C)CCC1C)OC.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
The InChIKey is BSNDKUJINBAOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-11-6-7-12(2)16(9-11)14(3,10-15)8-13(17-4)18-5/h11-13H,6-10,15H2,1-5H3.
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine?
2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-4,4-dimethoxy-2-methylbutan-1-amine is sourced from PubChem (CID 66178255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).