ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen

C19H32N2 — CID 145187519

IUPACethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen
SMILESCC.CC.CC.Cc1cnc2c3c([nH]c2c1)=CC1CC1C=3.[H][H]
InChIInChI=1S/C13H12N2.3C2H6.H2/c1-7-2-12-13(14-6-7)10-4-8-3-9(8)5-11(10)15-12;3*1-2;/h2,4-6,8-9,15H,3H2,1H3;3*1-2H3;1H
InChIKeyCQMXQXFKSUMZFJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.41
Rot. Bonds

About ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen

ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen (PubChem CID 145187519) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen.

Molecular Properties

Compound Nameethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen
PubChem CID145187519
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Nameethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen
SMILESCC.CC.CC.Cc1cnc2c3c([nH]c2c1)=CC1CC1C=3.[H][H]
InChIInChI=1S/C13H12N2.3C2H6.H2/c1-7-2-12-13(14-6-7)10-4-8-3-9(8)5-11(10)15-12;3*1-2;/h2,4-6,8-9,15H,3H2,1H3;3*1-2H3;1H
InChIKeyCQMXQXFKSUMZFJ-UHFFFAOYSA-N
XLogP4.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen?
The IUPAC name of ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen (CID 145187519) is ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen.
What is the SMILES notation for ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen?
The canonical SMILES for ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen is CC.CC.CC.Cc1cnc2c3c([nH]c2c1)=CC1CC1C=3.[H][H].
What is the InChIKey of ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen?
The InChIKey is CQMXQXFKSUMZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2.3C2H6.H2/c1-7-2-12-13(14-6-7)10-4-8-3-9(8)5-11(10)15-12;3*1-2;/h2,4-6,8-9,15H,3H2,1H3;3*1-2H3;1H.
What are the key properties of ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen?
ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen has a molecular weight of 288.48 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3,8-diazatetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9-pentaene;molecular hydrogen is sourced from PubChem (CID 145187519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).