(1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane

C13H23N — CID 11217776

IUPAC(1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane
SMILESCC1C[C@@H]2CCCC3CCC[C@@H](C1)N32
InChIInChI=1S/C13H23N/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h10-13H,2-9H2,1H3/t10?,11?,12-,13-/m0/s1
InChIKeyMOQNYBQLQBMEKL-TYUFSLCMSA-N
MW193.33 g/mol
LogP3.19
Rot. Bonds

About (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane

(1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane (PubChem CID 11217776) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane.

Molecular Properties

Compound Name(1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane
PubChem CID11217776
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane
SMILESCC1C[C@@H]2CCCC3CCC[C@@H](C1)N32
InChIInChI=1S/C13H23N/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h10-13H,2-9H2,1H3/t10?,11?,12-,13-/m0/s1
InChIKeyMOQNYBQLQBMEKL-TYUFSLCMSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane?
The IUPAC name of (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane (CID 11217776) is (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane.
What is the SMILES notation for (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane?
The canonical SMILES for (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane is CC1C[C@@H]2CCCC3CCC[C@@H](C1)N32.
What is the InChIKey of (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane?
The InChIKey is MOQNYBQLQBMEKL-TYUFSLCMSA-N. The full InChI is InChI=1S/C13H23N/c1-10-8-12-6-2-4-11-5-3-7-13(9-10)14(11)12/h10-13H,2-9H2,1H3/t10?,11?,12-,13-/m0/s1.
What are the key properties of (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane?
(1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane has a molecular weight of 193.33 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-methyl-13-azatricyclo[7.3.1.05,13]tridecane is sourced from PubChem (CID 11217776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).