(5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene

C13H21N — CID 163020759

IUPAC(5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene
SMILESC[C@@H]1CC2=CCC[C@H]3CCC[C@H](C1)N23
InChIInChI=1S/C13H21N/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h6,10-11,13H,2-5,7-9H2,1H3/t10-,11+,13-/m1/s1
InChIKeyGKCAPZDBPLRKGW-NTZNESFSSA-N
MW191.32 g/mol
LogP3.32
Rot. Bonds

About (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene

(5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene (PubChem CID 163020759) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene.

Molecular Properties

Compound Name(5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene
PubChem CID163020759
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene
SMILESC[C@@H]1CC2=CCC[C@H]3CCC[C@H](C1)N23
InChIInChI=1S/C13H21N/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h6,10-11,13H,2-5,7-9H2,1H3/t10-,11+,13-/m1/s1
InChIKeyGKCAPZDBPLRKGW-NTZNESFSSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene?
The IUPAC name of (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene (CID 163020759) is (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene.
What is the SMILES notation for (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene?
The canonical SMILES for (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene is C[C@@H]1CC2=CCC[C@H]3CCC[C@H](C1)N23.
What is the InChIKey of (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene?
The InChIKey is GKCAPZDBPLRKGW-NTZNESFSSA-N. The full InChI is InChI=1S/C13H21N/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h6,10-11,13H,2-5,7-9H2,1H3/t10-,11+,13-/m1/s1.
What are the key properties of (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene?
(5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene has a molecular weight of 191.32 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R,11S)-11-methyl-13-azatricyclo[7.3.1.05,13]tridec-1-ene is sourced from PubChem (CID 163020759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).