(2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine

C10H19N — CID 170442257

IUPAC(2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC(C)C1=C[C@H](C)N[C@H](C)C1
InChIInChI=1S/C10H19N/c1-7(2)10-5-8(3)11-9(4)6-10/h5,7-9,11H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyYEHXKWFTXSIFDK-DTWKUNHWSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds1

About (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine

(2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine (PubChem CID 170442257) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine
PubChem CID170442257
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine
SMILESCC(C)C1=C[C@H](C)N[C@H](C)C1
InChIInChI=1S/C10H19N/c1-7(2)10-5-8(3)11-9(4)6-10/h5,7-9,11H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyYEHXKWFTXSIFDK-DTWKUNHWSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine (CID 170442257) is (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine is CC(C)C1=C[C@H](C)N[C@H](C)C1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is YEHXKWFTXSIFDK-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19N/c1-7(2)10-5-8(3)11-9(4)6-10/h5,7-9,11H,6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine?
(2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-propan-2-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 170442257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).