3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine

C13H28N2 — CID 104967675

IUPAC3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H28N2/c1-5-14-9-11(2)10-15-12(3)7-6-8-13(15)4/h11-14H,5-10H2,1-4H3/t11?,12-,13+
InChIKeyRMMMCQUXLPANOA-YHWZYXNKSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

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

3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 104967675) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine
PubChem CID104967675
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C13H28N2/c1-5-14-9-11(2)10-15-12(3)7-6-8-13(15)4/h11-14H,5-10H2,1-4H3/t11?,12-,13+
InChIKeyRMMMCQUXLPANOA-YHWZYXNKSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine (CID 104967675) is 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine is CCNCC(C)CN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is RMMMCQUXLPANOA-YHWZYXNKSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-14-9-11(2)10-15-12(3)7-6-8-13(15)4/h11-14H,5-10H2,1-4H3/t11?,12-,13+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine?
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 104967675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).