2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine

C14H18N2 — CID 603606

IUPAC2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine
SMILESCc1c(CCN)c2cccc3c2n1CCC3
InChIInChI=1S/C14H18N2/c1-10-12(7-8-15)13-6-2-4-11-5-3-9-16(10)14(11)13/h2,4,6H,3,5,7-9,15H2,1H3
InChIKeyVDHFYTROGAAQAG-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.40
Rot. Bonds2

About 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine

2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine (PubChem CID 603606) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine
PubChem CID603606
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine
SMILESCc1c(CCN)c2cccc3c2n1CCC3
InChIInChI=1S/C14H18N2/c1-10-12(7-8-15)13-6-2-4-11-5-3-9-16(10)14(11)13/h2,4,6H,3,5,7-9,15H2,1H3
InChIKeyVDHFYTROGAAQAG-UHFFFAOYSA-N
XLogP2.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine 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 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine (CID 603606) is 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine is Cc1c(CCN)c2cccc3c2n1CCC3.
What is the InChIKey of 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine?
The InChIKey is VDHFYTROGAAQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-12(7-8-15)13-6-2-4-11-5-3-9-16(10)14(11)13/h2,4,6H,3,5,7-9,15H2,1H3.
What are the key properties of 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine?
2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine has a molecular weight of 214.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanamine is sourced from PubChem (CID 603606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).