2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine

C17H18N2 — CID 21420493

IUPAC2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine
SMILESNC1CC2c3ccccc3Cc3ccccc3N2C1
InChIInChI=1S/C17H18N2/c18-14-10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)19(17)11-14/h1-8,14,17H,9-11,18H2
InChIKeyJOVGOSMCZSJBLG-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.87
Rot. Bonds

About 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine

2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine (PubChem CID 21420493) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine.

Molecular Properties

Compound Name2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine
PubChem CID21420493
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine
SMILESNC1CC2c3ccccc3Cc3ccccc3N2C1
InChIInChI=1S/C17H18N2/c18-14-10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)19(17)11-14/h1-8,14,17H,9-11,18H2
InChIKeyJOVGOSMCZSJBLG-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine 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-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine?
The IUPAC name of 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine (CID 21420493) is 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine.
What is the SMILES notation for 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine?
The canonical SMILES for 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine is NC1CC2c3ccccc3Cc3ccccc3N2C1.
What is the InChIKey of 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine?
The InChIKey is JOVGOSMCZSJBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c18-14-10-17-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)19(17)11-14/h1-8,14,17H,9-11,18H2.
What are the key properties of 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine?
2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine has a molecular weight of 250.35 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine is sourced from PubChem (CID 21420493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).