2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine

C15H32N2 — CID 55157653

IUPAC2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-13(2)6-7-15(5,12-16)17-10-8-14(3,4)9-11-17/h13H,6-12,16H2,1-5H3
InChIKeyLYDFKRRMLFIMIY-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds5

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

2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine (PubChem CID 55157653) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine
PubChem CID55157653
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine
SMILESCC(C)CCC(C)(CN)N1CCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-13(2)6-7-15(5,12-16)17-10-8-14(3,4)9-11-17/h13H,6-12,16H2,1-5H3
InChIKeyLYDFKRRMLFIMIY-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine?
The IUPAC name of 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine (CID 55157653) is 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine.
What is the SMILES notation for 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine?
The canonical SMILES for 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine is CC(C)CCC(C)(CN)N1CCC(C)(C)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine?
The InChIKey is LYDFKRRMLFIMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)6-7-15(5,12-16)17-10-8-14(3,4)9-11-17/h13H,6-12,16H2,1-5H3.
What are the key properties of 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine?
2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylhexan-1-amine is sourced from PubChem (CID 55157653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).