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

C15H32N2 — CID 104967200

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(CN1[C@H](C)CCC[C@@H]1C)C(C)CC
InChIInChI=1S/C15H32N2/c1-6-12(3)15(16-7-2)11-17-13(4)9-8-10-14(17)5/h12-16H,6-11H2,1-5H3/t12?,13-,14+,15?
InChIKeyOVMVZENPYLDOPQ-HFDVOGEKSA-N
MW240.43 g/mol
LogP3.27
Rot. Bonds6

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

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine (PubChem CID 104967200) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine
PubChem CID104967200
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine
SMILESCCNC(CN1[C@H](C)CCC[C@@H]1C)C(C)CC
InChIInChI=1S/C15H32N2/c1-6-12(3)15(16-7-2)11-17-13(4)9-8-10-14(17)5/h12-16H,6-11H2,1-5H3/t12?,13-,14+,15?
InChIKeyOVMVZENPYLDOPQ-HFDVOGEKSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine
CID 104967675
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine
CID 104967146
2-N-(2,6-dimethylpiperidin-1-yl)-3-methylpentane-1,2-diamine
CID 83012065
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
CID 104967794
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 104967185
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
CID 104968404
N-ethyl-3-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 63717607
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
1-cyclohexyl-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanol
CID 104968497
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
CID 104967716

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine (CID 104967200) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine is CCNC(CN1[C@H](C)CCC[C@@H]1C)C(C)CC.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine?
The InChIKey is OVMVZENPYLDOPQ-HFDVOGEKSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-12(3)15(16-7-2)11-17-13(4)9-8-10-14(17)5/h12-16H,6-11H2,1-5H3/t12?,13-,14+,15?.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine has a molecular weight of 240.43 g/mol, XLogP of 3.27, 6 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]-N-ethyl-3-methylpentan-2-amine is sourced from PubChem (CID 104967200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).