2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine

C18H20N2 — CID 70637797

IUPAC2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine
SMILESNC1CCC2c3ccccc3Cc3ccccc3N2C1
InChIInChI=1S/C18H20N2/c19-15-9-10-18-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20(18)12-15/h1-8,15,18H,9-12,19H2
InChIKeyPARBHAZFGWPTRT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.26
Rot. Bonds

About 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine

2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine (PubChem CID 70637797) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine.

Molecular Properties

Compound Name2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine
PubChem CID70637797
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine
SMILESNC1CCC2c3ccccc3Cc3ccccc3N2C1
InChIInChI=1S/C18H20N2/c19-15-9-10-18-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20(18)12-15/h1-8,15,18H,9-12,19H2
InChIKeyPARBHAZFGWPTRT-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine?
The IUPAC name of 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine (CID 70637797) is 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine.
What is the SMILES notation for 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine?
The canonical SMILES for 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine is NC1CCC2c3ccccc3Cc3ccccc3N2C1.
What is the InChIKey of 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine?
The InChIKey is PARBHAZFGWPTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c19-15-9-10-18-16-7-3-1-5-13(16)11-14-6-2-4-8-17(14)20(18)12-15/h1-8,15,18H,9-12,19H2.
What are the key properties of 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine?
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine has a molecular weight of 264.37 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine is sourced from PubChem (CID 70637797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).