1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine

C12H26N2 — CID 104967185

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H26N2/c1-9(2)12(13)8-14-10(3)6-5-7-11(14)4/h9-12H,5-8,13H2,1-4H3/t10-,11+,12?
InChIKeyYFLLQTGVCWUZIG-FOSCPWQOSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds3

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine (PubChem CID 104967185) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
PubChem CID104967185
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
SMILESCC(C)C(N)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H26N2/c1-9(2)12(13)8-14-10(3)6-5-7-11(14)4/h9-12H,5-8,13H2,1-4H3/t10-,11+,12?
InChIKeyYFLLQTGVCWUZIG-FOSCPWQOSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine (CID 104967185) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine is CC(C)C(N)CN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine?
The InChIKey is YFLLQTGVCWUZIG-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)12(13)8-14-10(3)6-5-7-11(14)4/h9-12H,5-8,13H2,1-4H3/t10-,11+,12?.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine is sourced from PubChem (CID 104967185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).