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

C17H29NO2 — CID 146628673

IUPAC[(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
SMILESCC1CCCC(N2CC=C[C@@H](OC(=O)C(C)(C)C)C2)C1
InChIInChI=1S/C17H29NO2/c1-13-7-5-8-14(11-13)18-10-6-9-15(12-18)20-16(19)17(2,3)4/h6,9,13-15H,5,7-8,10-12H2,1-4H3/t13?,14?,15-/m1/s1
InChIKeyNPIQZDAWXSAQBH-YMAMQOFZSA-N
MW279.42 g/mol
LogP3.39
Rot. Bonds2

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

[(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate (PubChem CID 146628673) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
PubChem CID146628673
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name[(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
SMILESCC1CCCC(N2CC=C[C@@H](OC(=O)C(C)(C)C)C2)C1
InChIInChI=1S/C17H29NO2/c1-13-7-5-8-14(11-13)18-10-6-9-15(12-18)20-16(19)17(2,3)4/h6,9,13-15H,5,7-8,10-12H2,1-4H3/t13?,14?,15-/m1/s1
InChIKeyNPIQZDAWXSAQBH-YMAMQOFZSA-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
[1-(2-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146660261
[1-(thiolan-3-yl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate
CID 146627832
3-methoxy-1-(4-methylcyclohexyl)-3,6-dihydro-2H-pyridine
CID 146661435
[(1R,4S)-4-chlorocyclohept-2-en-1-yl] 2,2-dimethylpropanoate
CID 131871895
2-[1-(3-methylcyclohexyl)azetidin-3-yl]acetic acid
CID 64617498
[(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
1-[(1S,3R)-3-methylcyclohexyl]piperidine-4-carboxamide
CID 26458332
ethane;1-(3-methylcyclohexyl)pyrrolidine
CID 144810931
2,6-dimethyl-4-(3-methylcyclohexyl)morpholine
CID 2846634
(3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine
CID 167659611

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate (CID 146628673) is [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate is CC1CCCC(N2CC=C[C@@H](OC(=O)C(C)(C)C)C2)C1.
What is the InChIKey of [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
The InChIKey is NPIQZDAWXSAQBH-YMAMQOFZSA-N. The full InChI is InChI=1S/C17H29NO2/c1-13-7-5-8-14(11-13)18-10-6-9-15(12-18)20-16(19)17(2,3)4/h6,9,13-15H,5,7-8,10-12H2,1-4H3/t13?,14?,15-/m1/s1.
What are the key properties of [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate?
[(3R)-1-(3-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 [(3R)-1-(3-methylcyclohexyl)-3,6-dihydro-2H-pyridin-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 146628673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).