5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine

C19H23N — CID 147804034

IUPAC5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
SMILESCC(C)(C)N1c2ccccc2CCCc2ccccc21
InChIInChI=1S/C19H23N/c1-19(2,3)20-17-13-6-4-9-15(17)11-8-12-16-10-5-7-14-18(16)20/h4-7,9-10,13-14H,8,11-12H2,1-3H3
InChIKeyHMBKPRMXPVNXIN-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.11
Rot. Bonds

About 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine

5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine (PubChem CID 147804034) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine.

Molecular Properties

Compound Name5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
PubChem CID147804034
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine
SMILESCC(C)(C)N1c2ccccc2CCCc2ccccc21
InChIInChI=1S/C19H23N/c1-19(2,3)20-17-13-6-4-9-15(17)11-8-12-16-10-5-7-14-18(16)20/h4-7,9-10,13-14H,8,11-12H2,1-3H3
InChIKeyHMBKPRMXPVNXIN-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
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methane;1-methyl-3,4-dihydro-2H-quinoline
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5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one
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CID 134985582
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CID 89212009

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine?
The IUPAC name of 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine (CID 147804034) is 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine.
What is the SMILES notation for 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine?
The canonical SMILES for 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine is CC(C)(C)N1c2ccccc2CCCc2ccccc21.
What is the InChIKey of 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine?
The InChIKey is HMBKPRMXPVNXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-19(2,3)20-17-13-6-4-9-15(17)11-8-12-16-10-5-7-14-18(16)20/h4-7,9-10,13-14H,8,11-12H2,1-3H3.
What are the key properties of 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine?
5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine has a molecular weight of 265.40 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-11,12-dihydro-10H-benzo[b][1]benzazocine is sourced from PubChem (CID 147804034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).