10-azatricyclo[8.2.1.03,7]tridecane

C12H21N — CID 54001237

IUPAC10-azatricyclo[8.2.1.03,7]tridecane
SMILESC1CC2CCN3CCC(CC2C1)C3
InChIInChI=1S/C12H21N/c1-2-11-5-7-13-6-4-10(9-13)8-12(11)3-1/h10-12H,1-9H2
InChIKeyKLTRVZHOYXWIBI-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.52
Rot. Bonds

About 10-azatricyclo[8.2.1.03,7]tridecane

10-azatricyclo[8.2.1.03,7]tridecane (PubChem CID 54001237) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 10-azatricyclo[8.2.1.03,7]tridecane.

Molecular Properties

Compound Name10-azatricyclo[8.2.1.03,7]tridecane
PubChem CID54001237
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name10-azatricyclo[8.2.1.03,7]tridecane
SMILESC1CC2CCN3CCC(CC2C1)C3
InChIInChI=1S/C12H21N/c1-2-11-5-7-13-6-4-10(9-13)8-12(11)3-1/h10-12H,1-9H2
InChIKeyKLTRVZHOYXWIBI-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(12R,14R,21Z,29R,30R)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriacont-21-ene
CID 45278338
(4E,6Z,12S,14S,19Z,21Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,19,21-tetraene
CID 46197260
1-azabicyclo[2.2.1]heptane;2,2-dimethylpropane
CID 160816755
4-cyclobutylbicyclo[6.1.0]nonane
CID 123166023
2,3,3a,4,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[f]azulene
CID 123828031
(3R,11S)-tricyclo[5.5.1.03,11]tridecane
CID 54121059
(2R)-4-cyclobutyl-1,2-dimethylpiperidine
CID 171414314
1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-6,25-diene
CID 3791282
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
1-azabicyclo[3.2.1]octane;oxalic acid
CID 22917774
(3R)-1-azabicyclo[3.2.1]octan-3-amine
CID 154092746
bis(bicyclo[3.1.0]hexane);trihydrochloride
CID 69185190

Frequently Asked Questions

What is the IUPAC name of 10-azatricyclo[8.2.1.03,7]tridecane?
The IUPAC name of 10-azatricyclo[8.2.1.03,7]tridecane (CID 54001237) is 10-azatricyclo[8.2.1.03,7]tridecane.
What is the SMILES notation for 10-azatricyclo[8.2.1.03,7]tridecane?
The canonical SMILES for 10-azatricyclo[8.2.1.03,7]tridecane is C1CC2CCN3CCC(CC2C1)C3.
What is the InChIKey of 10-azatricyclo[8.2.1.03,7]tridecane?
The InChIKey is KLTRVZHOYXWIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-11-5-7-13-6-4-10(9-13)8-12(11)3-1/h10-12H,1-9H2.
What are the key properties of 10-azatricyclo[8.2.1.03,7]tridecane?
10-azatricyclo[8.2.1.03,7]tridecane has a molecular weight of 179.31 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-azatricyclo[8.2.1.03,7]tridecane is sourced from PubChem (CID 54001237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).