1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine

C11H22N2 — CID 102580844

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C11H22N2/c1-9(2)12-8-13-10(3)6-5-7-11(13)4/h8-11H,5-7H2,1-4H3/b12-8+/t10-,11+
InChIKeyXFLGYGTXOFVKRY-PRJFWROPSA-N
MW182.31 g/mol
LogP2.69
Rot. Bonds2

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine (PubChem CID 102580844) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine
PubChem CID102580844
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C11H22N2/c1-9(2)12-8-13-10(3)6-5-7-11(13)4/h8-11H,5-7H2,1-4H3/b12-8+/t10-,11+
InChIKeyXFLGYGTXOFVKRY-PRJFWROPSA-N
XLogP2.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylpiperidine-1-carbaldehyde
CID 4643970
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one
CID 58689259
1-(1-chloroethyl)-2,6-dimethylpiperidine;hydrochloride
CID 139755409
(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 134850848
(2R,7S)-1,2,7-trimethylazepane
CID 142119830
(2,6-dimethylpiperidin-1-yl)-dimethylborane
CID 169243459
3-(2,6-dimethylpiperidin-1-yl)prop-2-enoic acid
CID 79889608
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]propanoic acid
CID 104968084
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
2-methyl-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 62364532
1,3-dimethyl-2-(2-methylpropyl)cyclohexane
CID 91143805

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine (CID 102580844) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine is CC(C)/N=C/N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine?
The InChIKey is XFLGYGTXOFVKRY-PRJFWROPSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)12-8-13-10(3)6-5-7-11(13)4/h8-11H,5-7H2,1-4H3/b12-8+/t10-,11+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine has a molecular weight of 182.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-propan-2-ylmethanimine is sourced from PubChem (CID 102580844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).