10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane

C13H23N — CID 141202789

IUPAC10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane
SMILESCCN1CC2CC(C1)C1CCCCC21
InChIInChI=1S/C13H23N/c1-2-14-8-10-7-11(9-14)13-6-4-3-5-12(10)13/h10-13H,2-9H2,1H3
InChIKeySKMQQDRNAJBGGR-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.76
Rot. Bonds1

About 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane

10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane (PubChem CID 141202789) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane.

Molecular Properties

Compound Name10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane
PubChem CID141202789
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane
SMILESCCN1CC2CC(C1)C1CCCCC21
InChIInChI=1S/C13H23N/c1-2-14-8-10-7-11(9-14)13-6-4-3-5-12(10)13/h10-13H,2-9H2,1H3
InChIKeySKMQQDRNAJBGGR-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane?
The IUPAC name of 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane (CID 141202789) is 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane.
What is the SMILES notation for 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane?
The canonical SMILES for 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane is CCN1CC2CC(C1)C1CCCCC21.
What is the InChIKey of 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane?
The InChIKey is SKMQQDRNAJBGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-14-8-10-7-11(9-14)13-6-4-3-5-12(10)13/h10-13H,2-9H2,1H3.
What are the key properties of 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane?
10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane has a molecular weight of 193.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-10-azatricyclo[6.3.1.02,7]dodecane is sourced from PubChem (CID 141202789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).