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

C18H19N — CID 15506421

IUPAC2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
SMILESc1ccc2c(c1)Cc1ccccc1N1CCCCC21
InChIInChI=1S/C18H19N/c1-3-9-16-14(7-1)13-15-8-2-4-10-17(15)19-12-6-5-11-18(16)19/h1-4,7-10,18H,5-6,11-13H2
InChIKeyBGYFFQGUSGEZBL-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.32
Rot. Bonds

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

2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene (PubChem CID 15506421) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene.

Molecular Properties

Compound Name2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
PubChem CID15506421
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
SMILESc1ccc2c(c1)Cc1ccccc1N1CCCCC21
InChIInChI=1S/C18H19N/c1-3-9-16-14(7-1)13-15-8-2-4-10-17(15)19-12-6-5-11-18(16)19/h1-4,7-10,18H,5-6,11-13H2
InChIKeyBGYFFQGUSGEZBL-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene with MolForge

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

Launch Full Analysis

Related Compounds

10-thia-2-azatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),7(11),8,13,15-pentaene
CID 15506422
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-4-amine
CID 70637797
N-methyl-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-amine
CID 70636802
(6S,7S)-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-amine
CID 68677042
5-(tritritiomethyl)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 10445853
2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylidene)acetonitrile
CID 70637798
2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-amine
CID 21420493
(7R)-5-(2-chloroethyl)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 57197565
2-(2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-6-yl)ethanamine
CID 70636866
1-(2-cyclopropylphenyl)pyrrolidine
CID 155600422
5-methyl-3-phenyl-4-oxa-14-azatetracyclo[12.4.0.02,6.08,13]octadeca-2,5,8,10,12-pentaene
CID 135060858
2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizine
CID 13380222

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-hexaene?
The IUPAC name of 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene (CID 15506421) is 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene.
What is the SMILES notation for 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
The canonical SMILES for 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene is c1ccc2c(c1)Cc1ccccc1N1CCCCC21.
What is the InChIKey of 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
The InChIKey is BGYFFQGUSGEZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-3-9-16-14(7-1)13-15-8-2-4-10-17(15)19-12-6-5-11-18(16)19/h1-4,7-10,18H,5-6,11-13H2.
What are the key properties of 2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene?
2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene has a molecular weight of 249.36 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 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-hexaene is sourced from PubChem (CID 15506421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).