2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine

C20H24N2 — CID 70636866

IUPAC2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine
SMILESNCCC1CCCN2c3ccccc3Cc3ccccc3C12
InChIInChI=1S/C20H24N2/c21-12-11-15-8-5-13-22-19-10-4-2-7-17(19)14-16-6-1-3-9-18(16)20(15)22/h1-4,6-7,9-10,15,20H,5,8,11-14,21H2
InChIKeyIZEQIRLYJNFJNA-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.90
Rot. Bonds2

About 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine

2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine (PubChem CID 70636866) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine.

Molecular Properties

Compound Name2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine
PubChem CID70636866
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine
SMILESNCCC1CCCN2c3ccccc3Cc3ccccc3C12
InChIInChI=1S/C20H24N2/c21-12-11-15-8-5-13-22-19-10-4-2-7-17(19)14-16-6-1-3-9-18(16)20(15)22/h1-4,6-7,9-10,15,20H,5,8,11-14,21H2
InChIKeyIZEQIRLYJNFJNA-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine?
The IUPAC name of 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine (CID 70636866) is 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine.
What is the SMILES notation for 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine?
The canonical SMILES for 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine is NCCC1CCCN2c3ccccc3Cc3ccccc3C12.
What is the InChIKey of 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine?
The InChIKey is IZEQIRLYJNFJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c21-12-11-15-8-5-13-22-19-10-4-2-7-17(19)14-16-6-1-3-9-18(16)20(15)22/h1-4,6-7,9-10,15,20H,5,8,11-14,21H2.
What are the key properties of 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine?
2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine has a molecular weight of 292.43 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine is sourced from PubChem (CID 70636866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).