(3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane

C13H23N — CID 163972586

IUPAC(3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane
SMILESC[C@H]1C2CCCCC1N(C)[C@@H]1CC1C2
InChIInChI=1S/C13H23N/c1-9-10-5-3-4-6-12(9)14(2)13-8-11(13)7-10/h9-13H,3-8H2,1-2H3/t9-,10?,11?,12?,13+/m0/s1
InChIKeySRHLDZVJPHGAIS-CDEGIIQSSA-N
MW193.33 g/mol
LogP2.91
Rot. Bonds

About (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane

(3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane (PubChem CID 163972586) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane.

Molecular Properties

Compound Name(3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane
PubChem CID163972586
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane
SMILESC[C@H]1C2CCCCC1N(C)[C@@H]1CC1C2
InChIInChI=1S/C13H23N/c1-9-10-5-3-4-6-12(9)14(2)13-8-11(13)7-10/h9-13H,3-8H2,1-2H3/t9-,10?,11?,12?,13+/m0/s1
InChIKeySRHLDZVJPHGAIS-CDEGIIQSSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane?
The IUPAC name of (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane (CID 163972586) is (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane.
What is the SMILES notation for (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane?
The canonical SMILES for (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane is C[C@H]1C2CCCCC1N(C)[C@@H]1CC1C2.
What is the InChIKey of (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane?
The InChIKey is SRHLDZVJPHGAIS-CDEGIIQSSA-N. The full InChI is InChI=1S/C13H23N/c1-9-10-5-3-4-6-12(9)14(2)13-8-11(13)7-10/h9-13H,3-8H2,1-2H3/t9-,10?,11?,12?,13+/m0/s1.
What are the key properties of (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane?
(3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane has a molecular weight of 193.33 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane is sourced from PubChem (CID 163972586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).