2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline

C15H17N3 — CID 69211650

IUPAC2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc2ccccc2n1
InChIInChI=1S/C15H17N3/c1-17-9-13-8-12(17)10-18(13)15-7-6-11-4-2-3-5-14(11)16-15/h2-7,12-13H,8-10H2,1H3/t12-,13-/m0/s1
InChIKeyXZDDYBKLXPTCCB-STQMWFEESA-N
MW239.32 g/mol
LogP2.13
Rot. Bonds1

About 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline

2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline (PubChem CID 69211650) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline.

Molecular Properties

Compound Name2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline
PubChem CID69211650
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc2ccccc2n1
InChIInChI=1S/C15H17N3/c1-17-9-13-8-12(17)10-18(13)15-7-6-11-4-2-3-5-14(11)16-15/h2-7,12-13H,8-10H2,1H3/t12-,13-/m0/s1
InChIKeyXZDDYBKLXPTCCB-STQMWFEESA-N
XLogP2.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline?
The IUPAC name of 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline (CID 69211650) is 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline.
What is the SMILES notation for 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline?
The canonical SMILES for 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline is CN1C[C@@H]2C[C@H]1CN2c1ccc2ccccc2n1.
What is the InChIKey of 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline?
The InChIKey is XZDDYBKLXPTCCB-STQMWFEESA-N. The full InChI is InChI=1S/C15H17N3/c1-17-9-13-8-12(17)10-18(13)15-7-6-11-4-2-3-5-14(11)16-15/h2-7,12-13H,8-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline?
2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline has a molecular weight of 239.32 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]quinoline is sourced from PubChem (CID 69211650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).