(2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine

C20H35N — CID 126485607

IUPAC(2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine
SMILESC[C@@H]1CC[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C
InChIInChI=1S/C20H35N/c1-15-11-12-17-8-4-5-10-20(17)19(15)14-13-18-9-6-7-16(2)21(18)3/h13-20H,4-12H2,1-3H3/b14-13+/t15-,16+,17-,18-,19+,20+/m1/s1
InChIKeyPQJNLWDTNRPPMB-FACAZMFYSA-N
MW289.51 g/mol
LogP5.27
Rot. Bonds2

About (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine

(2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine (PubChem CID 126485607) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine.

Molecular Properties

Compound Name(2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine
PubChem CID126485607
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine
SMILESC[C@@H]1CC[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C
InChIInChI=1S/C20H35N/c1-15-11-12-17-8-4-5-10-20(17)19(15)14-13-18-9-6-7-16(2)21(18)3/h13-20H,4-12H2,1-3H3/b14-13+/t15-,16+,17-,18-,19+,20+/m1/s1
InChIKeyPQJNLWDTNRPPMB-FACAZMFYSA-N
XLogP5.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine with MolForge

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Related Compounds

2-[(E)-2-[(4S)-1-methoxy-3-methyl-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]ethenyl]-1,6-dimethylpiperidine
CID 59891020
(3S,3aR,4S,4aS,8aR,9aS)-4-[(E)-2-[(2S,6R)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
CID 139962022
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
(2R,7S)-1,2,7-trimethylazepane
CID 142119830
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine?
The IUPAC name of (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine (CID 126485607) is (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine.
What is the SMILES notation for (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine?
The canonical SMILES for (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine is C[C@@H]1CC[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C.
What is the InChIKey of (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine?
The InChIKey is PQJNLWDTNRPPMB-FACAZMFYSA-N. The full InChI is InChI=1S/C20H35N/c1-15-11-12-17-8-4-5-10-20(17)19(15)14-13-18-9-6-7-16(2)21(18)3/h13-20H,4-12H2,1-3H3/b14-13+/t15-,16+,17-,18-,19+,20+/m1/s1.
What are the key properties of (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine?
(2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine has a molecular weight of 289.51 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-[(E)-2-[(1R,2R,4aR,8aS)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]ethenyl]-1,6-dimethylpiperidine is sourced from PubChem (CID 126485607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).