(2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine

C9H17N — CID 59885958

IUPAC(2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine
SMILESCC1=CN(C)[C@H](C)[C@@H](C)C1
InChIInChI=1S/C9H17N/c1-7-5-8(2)9(3)10(4)6-7/h6,8-9H,5H2,1-4H3/t8-,9+/m0/s1
InChIKeyDUGUATDMMGSUFV-DTWKUNHWSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds

About (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine

(2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine (PubChem CID 59885958) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name(2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine
PubChem CID59885958
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine
SMILESCC1=CN(C)[C@H](C)[C@@H](C)C1
InChIInChI=1S/C9H17N/c1-7-5-8(2)9(3)10(4)6-7/h6,8-9H,5H2,1-4H3/t8-,9+/m0/s1
InChIKeyDUGUATDMMGSUFV-DTWKUNHWSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine?
The IUPAC name of (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine (CID 59885958) is (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine is CC1=CN(C)[C@H](C)[C@@H](C)C1.
What is the InChIKey of (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine?
The InChIKey is DUGUATDMMGSUFV-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17N/c1-7-5-8(2)9(3)10(4)6-7/h6,8-9H,5H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine?
(2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,2,3,5-tetramethyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 59885958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).