(2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C15H22N2O — CID 97369433

IUPAC(2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1cccc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)n1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-14(16-11)9-17-7-6-13-8-12(2)18-15(13)10-17/h3-5,12-13,15H,6-10H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyGDUVXQZJDDWPBZ-KCQAQPDRSA-N
MW246.35 g/mol
LogP2.39
Rot. Bonds2

About (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 97369433) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID97369433
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCc1cccc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)n1
InChIInChI=1S/C15H22N2O/c1-11-4-3-5-14(16-11)9-17-7-6-13-8-12(2)18-15(13)10-17/h3-5,12-13,15H,6-10H2,1-2H3/t12-,13-,15+/m0/s1
InChIKeyGDUVXQZJDDWPBZ-KCQAQPDRSA-N
XLogP2.39
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 97369433) is (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Cc1cccc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)n1.
What is the InChIKey of (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is GDUVXQZJDDWPBZ-KCQAQPDRSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-4-3-5-14(16-11)9-17-7-6-13-8-12(2)18-15(13)10-17/h3-5,12-13,15H,6-10H2,1-2H3/t12-,13-,15+/m0/s1.
What are the key properties of (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 246.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-2-methyl-6-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 97369433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).