(2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine

C18H33N — CID 134947514

IUPAC(2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC[C@@H]1C(C)=C(C)[C@H](C)N(C2CCCCC2)[C@H]1CC
InChIInChI=1S/C18H33N/c1-6-17-14(4)13(3)15(5)19(18(17)7-2)16-11-9-8-10-12-16/h15-18H,6-12H2,1-5H3/t15-,17+,18-/m0/s1
InChIKeyQRFMELMCEMLFFY-JQHSSLGASA-N
MW263.47 g/mol
LogP5.16
Rot. Bonds3

About (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine

(2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine (PubChem CID 134947514) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine
PubChem CID134947514
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine
SMILESCC[C@@H]1C(C)=C(C)[C@H](C)N(C2CCCCC2)[C@H]1CC
InChIInChI=1S/C18H33N/c1-6-17-14(4)13(3)15(5)19(18(17)7-2)16-11-9-8-10-12-16/h15-18H,6-12H2,1-5H3/t15-,17+,18-/m0/s1
InChIKeyQRFMELMCEMLFFY-JQHSSLGASA-N
XLogP5.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine (CID 134947514) is (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine is CC[C@@H]1C(C)=C(C)[C@H](C)N(C2CCCCC2)[C@H]1CC.
What is the InChIKey of (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is QRFMELMCEMLFFY-JQHSSLGASA-N. The full InChI is InChI=1S/C18H33N/c1-6-17-14(4)13(3)15(5)19(18(17)7-2)16-11-9-8-10-12-16/h15-18H,6-12H2,1-5H3/t15-,17+,18-/m0/s1.
What are the key properties of (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine?
(2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 263.47 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-1-cyclohexyl-2,3-diethyl-4,5,6-trimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 134947514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).