8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine

C19H31NO — CID 91297146

IUPAC8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine
SMILESCCC1=NC(CC(C)C)=C2CCOC2=C(CC(C)(C)C)C1
InChIInChI=1S/C19H31NO/c1-7-15-11-14(12-19(4,5)6)18-16(8-9-21-18)17(20-15)10-13(2)3/h13H,7-12H2,1-6H3
InChIKeyBZMPCBOTHUEMHW-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.65
Rot. Bonds4

About 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine

8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine (PubChem CID 91297146) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine
PubChem CID91297146
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine
SMILESCCC1=NC(CC(C)C)=C2CCOC2=C(CC(C)(C)C)C1
InChIInChI=1S/C19H31NO/c1-7-15-11-14(12-19(4,5)6)18-16(8-9-21-18)17(20-15)10-13(2)3/h13H,7-12H2,1-6H3
InChIKeyBZMPCBOTHUEMHW-UHFFFAOYSA-N
XLogP5.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine?
The IUPAC name of 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine (CID 91297146) is 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine?
The canonical SMILES for 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine is CCC1=NC(CC(C)C)=C2CCOC2=C(CC(C)(C)C)C1.
What is the InChIKey of 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine?
The InChIKey is BZMPCBOTHUEMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-7-15-11-14(12-19(4,5)6)18-16(8-9-21-18)17(20-15)10-13(2)3/h13H,7-12H2,1-6H3.
What are the key properties of 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine?
8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine has a molecular weight of 289.46 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-6-ethyl-4-(2-methylpropyl)-3,7-dihydro-2H-furo[3,2-c]azepine is sourced from PubChem (CID 91297146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).