(3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine

C12H21N — CID 167659611

IUPAC(3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine
SMILESC[C@@H]1C=CCN(C2CCCCC2)C1
InChIInChI=1S/C12H21N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h5-6,11-12H,2-4,7-10H2,1H3/t11-/m1/s1
InChIKeyGLAFDJRNYRKDNO-LLVKDONJSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds1

About (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine

(3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine (PubChem CID 167659611) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name(3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine
PubChem CID167659611
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine
SMILESC[C@@H]1C=CCN(C2CCCCC2)C1
InChIInChI=1S/C12H21N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h5-6,11-12H,2-4,7-10H2,1H3/t11-/m1/s1
InChIKeyGLAFDJRNYRKDNO-LLVKDONJSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine (CID 167659611) is (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine is C[C@@H]1C=CCN(C2CCCCC2)C1.
What is the InChIKey of (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is GLAFDJRNYRKDNO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h5-6,11-12H,2-4,7-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine?
(3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 179.31 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclohexyl-3-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 167659611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).