2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine

C13H27N — CID 130816302

IUPAC2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine
SMILESCC1CNC(CCC(C)(C)C)C(C)C1
InChIInChI=1S/C13H27N/c1-10-8-11(2)12(14-9-10)6-7-13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyGURFZHZGRJIDRN-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds2

About 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine

2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine (PubChem CID 130816302) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine
PubChem CID130816302
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine
SMILESCC1CNC(CCC(C)(C)C)C(C)C1
InChIInChI=1S/C13H27N/c1-10-8-11(2)12(14-9-10)6-7-13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyGURFZHZGRJIDRN-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine?
The IUPAC name of 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine (CID 130816302) is 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine is CC1CNC(CCC(C)(C)C)C(C)C1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine?
The InChIKey is GURFZHZGRJIDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10-8-11(2)12(14-9-10)6-7-13(3,4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine?
2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 130816302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).