2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine

C13H18N2 — CID 155006137

IUPAC2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine
SMILESCCC1Cc2cccc3c2N1CCC3N
InChIInChI=1S/C13H18N2/c1-2-10-8-9-4-3-5-11-12(14)6-7-15(10)13(9)11/h3-5,10,12H,2,6-8,14H2,1H3
InChIKeySIRZEAVMNHNPDD-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.23
Rot. Bonds1

About 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine

2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine (PubChem CID 155006137) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine.

Molecular Properties

Compound Name2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine
PubChem CID155006137
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine
SMILESCCC1Cc2cccc3c2N1CCC3N
InChIInChI=1S/C13H18N2/c1-2-10-8-9-4-3-5-11-12(14)6-7-15(10)13(9)11/h3-5,10,12H,2,6-8,14H2,1H3
InChIKeySIRZEAVMNHNPDD-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine?
The IUPAC name of 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine (CID 155006137) is 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine.
What is the SMILES notation for 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine?
The canonical SMILES for 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine is CCC1Cc2cccc3c2N1CCC3N.
What is the InChIKey of 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine?
The InChIKey is SIRZEAVMNHNPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-10-8-9-4-3-5-11-12(14)6-7-15(10)13(9)11/h3-5,10,12H,2,6-8,14H2,1H3.
What are the key properties of 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine?
2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine has a molecular weight of 202.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-amine is sourced from PubChem (CID 155006137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).