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

C12H26N2 — CID 104967146

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine
SMILESCCC(CN1[C@H](C)CCC[C@@H]1C)NC
InChIInChI=1S/C12H26N2/c1-5-12(13-4)9-14-10(2)7-6-8-11(14)3/h10-13H,5-9H2,1-4H3/t10-,11+,12?
InChIKeyQGSQNDQWOXETKR-FOSCPWQOSA-N
MW198.35 g/mol
LogP2.25
Rot. Bonds4

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

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine (PubChem CID 104967146) 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]-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine
PubChem CID104967146
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine
SMILESCCC(CN1[C@H](C)CCC[C@@H]1C)NC
InChIInChI=1S/C12H26N2/c1-5-12(13-4)9-14-10(2)7-6-8-11(14)3/h10-13H,5-9H2,1-4H3/t10-,11+,12?
InChIKeyQGSQNDQWOXETKR-FOSCPWQOSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]butan-1-amine
CID 104967794
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-3-methylpentan-2-amine
CID 104967200
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-methylbutan-2-amine
CID 82747657
N-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 62039052
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine
CID 104967675
2-(2,6-dimethylpiperidin-1-yl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 63467280
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
2-N-(2,6-dimethylpiperidin-1-yl)butane-1,2-diamine
CID 83011142
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
CID 104968404
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-2-amine
CID 104967185
3-(methylamino)-4-(2-methylpyrrolidin-1-yl)butan-1-ol
CID 64898588

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine (CID 104967146) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine is CCC(CN1[C@H](C)CCC[C@@H]1C)NC.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine?
The InChIKey is QGSQNDQWOXETKR-FOSCPWQOSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-12(13-4)9-14-10(2)7-6-8-11(14)3/h10-13H,5-9H2,1-4H3/t10-,11+,12?.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.25, 4 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-methylbutan-2-amine is sourced from PubChem (CID 104967146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).