[1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate

C17H29NO2 — CID 146660261

IUPAC[1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
SMILESCC1CCCCC1N1CC=CC(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C17H29NO2/c1-13-8-5-6-10-15(13)18-11-7-9-14(12-18)20-16(19)17(2,3)4/h7,9,13-15H,5-6,8,10-12H2,1-4H3
InChIKeyAGMWXWFJULDETC-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.39
Rot. Bonds2

About [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate

[1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate (PubChem CID 146660261) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
PubChem CID146660261
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name[1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
SMILESCC1CCCCC1N1CC=CC(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C17H29NO2/c1-13-8-5-6-10-15(13)18-11-7-9-14(12-18)20-16(19)17(2,3)4/h7,9,13-15H,5-6,8,10-12H2,1-4H3
InChIKeyAGMWXWFJULDETC-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-1-cyclopentyl-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146628757
[(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146628673
[1-(thiolan-3-yl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146627832
[(1R,4S)-4-chlorocyclohept-2-en-1-yl] 2,2-dimethylpropanoate
CID 131871895
[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
CID 12846337
[(1R,4S)-4-hydroxycyclohex-2-en-1-yl] 2,2-dimethylpropanoate
CID 15263359
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
[(1S,2E,6S)-6-(2,2-dimethylpropanoyl)-6-methylcyclooct-2-en-1-yl] 2,2-dimethylpropanoate
CID 162467867
tert-butyl 2,2-dimethylpropanoate;bis(cyclohexyl 2,2-dimethylpropanoate)
CID 159925265
[(3S,4S)-1-(2-hydroxypropyl)-3-methylpiperidin-4-yl] 2,2-dimethylpropanoate
CID 66841392
(2-methylcyclohexyl) 2,2,3,3,3-pentafluoropropanoate
CID 91697691
[(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 2,2-dimethylpropanoate
CID 10683657

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate (CID 146660261) is [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate is CC1CCCCC1N1CC=CC(OC(=O)C(C)(C)C)C1.
What is the InChIKey of [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is AGMWXWFJULDETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13-8-5-6-10-15(13)18-11-7-9-14(12-18)20-16(19)17(2,3)4/h7,9,13-15H,5-6,8,10-12H2,1-4H3.
What are the key properties of [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
[1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate has a molecular weight of 279.42 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 146660261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).