8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane

C16H19N — CID 90847264

IUPAC8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane
SMILESC1=CCC2C(=C1)c1cccc3c1N2CC3.CC
InChIInChI=1S/C14H13N.C2H6/c1-2-7-13-11(5-1)12-6-3-4-10-8-9-15(13)14(10)12;1-2/h1-6,13H,7-9H2;1-2H3
InChIKeyBGQDTDJDFNMTSG-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.80
Rot. Bonds

About 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane

8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane (PubChem CID 90847264) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane.

Molecular Properties

Compound Name8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane
PubChem CID90847264
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane
SMILESC1=CCC2C(=C1)c1cccc3c1N2CC3.CC
InChIInChI=1S/C14H13N.C2H6/c1-2-7-13-11(5-1)12-6-3-4-10-8-9-15(13)14(10)12;1-2/h1-6,13H,7-9H2;1-2H3
InChIKeyBGQDTDJDFNMTSG-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane with MolForge

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Related Compounds

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CID 69497384
ethane;(2-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)boronic acid
CID 143742417
4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 15498114
10-bromo-1,12b-dihydrotriphenylene
CID 145063923
9-(5-methylcyclohexa-1,5-dien-1-yl)-1,9,10,10a-tetrahydrophenanthrene
CID 123504389
1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15-octaen-4-ylboronic acid
CID 165160975
2-(5,6-dihydronaphthalen-1-yl)-1-(4-methylphenyl)-7,7a-dihydroindole
CID 152971116
5-methyl-9H-benzo[7]annulene
CID 123648201
2-propan-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-9-one
CID 155006098
3-(7-tert-butyl-2,3-dihydroindol-1-yl)-6-methylidenepiperidin-2-one
CID 170079417
N,1-dimethyl-2,3-dihydroindol-7-amine
CID 22943239

Frequently Asked Questions

What is the IUPAC name of 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane?
The IUPAC name of 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane (CID 90847264) is 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane.
What is the SMILES notation for 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane?
The canonical SMILES for 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane is C1=CCC2C(=C1)c1cccc3c1N2CC3.CC.
What is the InChIKey of 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane?
The InChIKey is BGQDTDJDFNMTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C2H6/c1-2-7-13-11(5-1)12-6-3-4-10-8-9-15(13)14(10)12;1-2/h1-6,13H,7-9H2;1-2H3.
What are the key properties of 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane?
8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane has a molecular weight of 225.34 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2,4,11(15),12-pentaene;ethane is sourced from PubChem (CID 90847264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).