8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine

C17H22N2 — CID 123359789

IUPAC8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine
SMILESCC1C(C)(C)c2ccc3c(c2C1(C)C)=CNC=NC=3
InChIInChI=1S/C17H22N2/c1-11-16(2,3)14-7-6-12-8-18-10-19-9-13(12)15(14)17(11,4)5/h6-11H,1-5H3,(H,18,19)
InChIKeyKGCPVNAJDKGULC-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.00
Rot. Bonds

About 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine

8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine (PubChem CID 123359789) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine.

Molecular Properties

Compound Name8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine
PubChem CID123359789
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine
SMILESCC1C(C)(C)c2ccc3c(c2C1(C)C)=CNC=NC=3
InChIInChI=1S/C17H22N2/c1-11-16(2,3)14-7-6-12-8-18-10-19-9-13(12)15(14)17(11,4)5/h6-11H,1-5H3,(H,18,19)
InChIKeyKGCPVNAJDKGULC-UHFFFAOYSA-N
XLogP2.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-ethenyl-1-hexyl-6-methylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-1-ium chloride
CID 70522526
1-[(5-ethenyl-1-octyl-6-propan-2-ylcyclohexa-2,4-dien-1-yl)methyl]-1H-imidazol-1-ium chloride
CID 70524082

Frequently Asked Questions

What is the IUPAC name of 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine?
The IUPAC name of 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine (CID 123359789) is 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine.
What is the SMILES notation for 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine?
The canonical SMILES for 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine is CC1C(C)(C)c2ccc3c(c2C1(C)C)=CNC=NC=3.
What is the InChIKey of 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine?
The InChIKey is KGCPVNAJDKGULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-11-16(2,3)14-7-6-12-8-18-10-19-9-13(12)15(14)17(11,4)5/h6-11H,1-5H3,(H,18,19).
What are the key properties of 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine?
8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine has a molecular weight of 254.38 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,10,10-pentamethyl-2,9-dihydrocyclopenta[i][2,4]benzodiazepine is sourced from PubChem (CID 123359789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).