1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

C14H14N2 — CID 68653860

IUPAC1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCC12CCC(C1)c1nc3ccccc3nc12
InChIInChI=1S/C14H14N2/c1-14-7-6-9(8-14)12-13(14)16-11-5-3-2-4-10(11)15-12/h2-5,9H,6-8H2,1H3
InChIKeyBDPZAIKHPLSALU-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.17
Rot. Bonds

About 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (PubChem CID 68653860) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
PubChem CID68653860
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESCC12CCC(C1)c1nc3ccccc3nc12
InChIInChI=1S/C14H14N2/c1-14-7-6-9(8-14)12-13(14)16-11-5-3-2-4-10(11)15-12/h2-5,9H,6-8H2,1H3
InChIKeyBDPZAIKHPLSALU-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The IUPAC name of 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (CID 68653860) is 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The canonical SMILES for 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is CC12CCC(C1)c1nc3ccccc3nc12.
What is the InChIKey of 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The InChIKey is BDPZAIKHPLSALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-14-7-6-9(8-14)12-13(14)16-11-5-3-2-4-10(11)15-12/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene has a molecular weight of 210.28 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 68653860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).