1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene

C19H27N — CID 12880317

IUPAC1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
SMILESCCC12CCC3CC1C(Cc1ccccc12)N(C)C3C
InChIInChI=1S/C19H27N/c1-4-19-10-9-14-11-17(19)18(20(3)13(14)2)12-15-7-5-6-8-16(15)19/h5-8,13-14,17-18H,4,9-12H2,1-3H3
InChIKeyPQLTYJDCNAWMIU-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.01
Rot. Bonds1

About 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene

1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene (PubChem CID 12880317) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene.

Molecular Properties

Compound Name1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
PubChem CID12880317
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene
SMILESCCC12CCC3CC1C(Cc1ccccc12)N(C)C3C
InChIInChI=1S/C19H27N/c1-4-19-10-9-14-11-17(19)18(20(3)13(14)2)12-15-7-5-6-8-16(15)19/h5-8,13-14,17-18H,4,9-12H2,1-3H3
InChIKeyPQLTYJDCNAWMIU-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The IUPAC name of 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene (CID 12880317) is 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene.
What is the SMILES notation for 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The canonical SMILES for 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene is CCC12CCC3CC1C(Cc1ccccc12)N(C)C3C.
What is the InChIKey of 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
The InChIKey is PQLTYJDCNAWMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-4-19-10-9-14-11-17(19)18(20(3)13(14)2)12-15-7-5-6-8-16(15)19/h5-8,13-14,17-18H,4,9-12H2,1-3H3.
What are the key properties of 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene?
1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene has a molecular weight of 269.43 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-10,11-dimethyl-10-azatetracyclo[10.2.2.02,7.09,14]hexadeca-2,4,6-triene is sourced from PubChem (CID 12880317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).