(2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene

C15H21N — CID 135075546

IUPAC(2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
SMILESCCCN1CCc2cccc3c2[C@@H]1C[C@H]3C
InChIInChI=1S/C15H21N/c1-3-8-16-9-7-12-5-4-6-13-11(2)10-14(16)15(12)13/h4-6,11,14H,3,7-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyXSBRIPXDPIIOBU-RISCZKNCSA-N
MW215.34 g/mol
LogP3.50
Rot. Bonds2

About (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene

(2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene (PubChem CID 135075546) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene.

Molecular Properties

Compound Name(2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
PubChem CID135075546
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene
SMILESCCCN1CCc2cccc3c2[C@@H]1C[C@H]3C
InChIInChI=1S/C15H21N/c1-3-8-16-9-7-12-5-4-6-13-11(2)10-14(16)15(12)13/h4-6,11,14H,3,7-10H2,1-2H3/t11-,14+/m1/s1
InChIKeyXSBRIPXDPIIOBU-RISCZKNCSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The IUPAC name of (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene (CID 135075546) is (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene.
What is the SMILES notation for (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The canonical SMILES for (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene is CCCN1CCc2cccc3c2[C@@H]1C[C@H]3C.
What is the InChIKey of (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
The InChIKey is XSBRIPXDPIIOBU-RISCZKNCSA-N. The full InChI is InChI=1S/C15H21N/c1-3-8-16-9-7-12-5-4-6-13-11(2)10-14(16)15(12)13/h4-6,11,14H,3,7-10H2,1-2H3/t11-,14+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene?
(2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene has a molecular weight of 215.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-5-propyl-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene is sourced from PubChem (CID 135075546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).