6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline

C19H25N3 — CID 134506624

IUPAC6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline
SMILESCC(C)(C)N1CC2CC(C1)N2Cc1ccc2ncccc2c1
InChIInChI=1S/C19H25N3/c1-19(2,3)21-12-16-10-17(13-21)22(16)11-14-6-7-18-15(9-14)5-4-8-20-18/h4-9,16-17H,10-13H2,1-3H3
InChIKeyOWTUSYZYFZAMHH-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.29
Rot. Bonds2

About 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline

6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline (PubChem CID 134506624) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline
PubChem CID134506624
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline
SMILESCC(C)(C)N1CC2CC(C1)N2Cc1ccc2ncccc2c1
InChIInChI=1S/C19H25N3/c1-19(2,3)21-12-16-10-17(13-21)22(16)11-14-6-7-18-15(9-14)5-4-8-20-18/h4-9,16-17H,10-13H2,1-3H3
InChIKeyOWTUSYZYFZAMHH-UHFFFAOYSA-N
XLogP3.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline?
The IUPAC name of 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline (CID 134506624) is 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline.
What is the SMILES notation for 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline?
The canonical SMILES for 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline is CC(C)(C)N1CC2CC(C1)N2Cc1ccc2ncccc2c1.
What is the InChIKey of 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline?
The InChIKey is OWTUSYZYFZAMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-19(2,3)21-12-16-10-17(13-21)22(16)11-14-6-7-18-15(9-14)5-4-8-20-18/h4-9,16-17H,10-13H2,1-3H3.
What are the key properties of 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline?
6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline has a molecular weight of 295.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]quinoline is sourced from PubChem (CID 134506624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).