5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane

C13H23N — CID 170386418

IUPAC5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
SMILESCC(C)(C)C12CC3CC(C1)NC(C3)C2
InChIInChI=1S/C13H23N/c1-12(2,3)13-6-9-4-10(7-13)14-11(5-9)8-13/h9-11,14H,4-8H2,1-3H3
InChIKeyOFJYVDLICVLEPH-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.95
Rot. Bonds

About 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane

5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane (PubChem CID 170386418) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
PubChem CID170386418
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
SMILESCC(C)(C)C12CC3CC(C1)NC(C3)C2
InChIInChI=1S/C13H23N/c1-12(2,3)13-6-9-4-10(7-13)14-11(5-9)8-13/h9-11,14H,4-8H2,1-3H3
InChIKeyOFJYVDLICVLEPH-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 467461
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CID 637989
2-Azatricyclo(3.3.1.1,3,7)decane hydrochloride
CID 75529762
1-Methyl-2-azaadamantane
CID 57485169
1-(Iodomethyl)-2-azatricyclo(3.3.1.13,7)decane
CID 69477129
5-Fluoro-2-azatricyclo[3.3.1.13,7]decane
CID 57485120
5-Fluoro-1-methyl-2-azatricyclo[3.3.1.13,7]decane
CID 118643202
1-Fluoro-2-azatricyclo[3.3.1.13,7]decane
CID 118643333
4-Fluoro-2-azatricyclo[3.3.1.13,7]decane
CID 176299743
N-ethyl-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethanamine
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(5R,7S)-1-fluoro-2-azatricyclo[3.3.1.13,7]decane
CID 130834779

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane (CID 170386418) is 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane is CC(C)(C)C12CC3CC(C1)NC(C3)C2.
What is the InChIKey of 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane?
The InChIKey is OFJYVDLICVLEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-12(2,3)13-6-9-4-10(7-13)14-11(5-9)8-13/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane?
5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane has a molecular weight of 193.33 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 170386418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).