11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine

C17H21N — CID 70973534

IUPAC11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine
SMILESCC(C)N1C2=C(C=CCC2)CCc2ccccc21
InChIInChI=1S/C17H21N/c1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h3-5,7-9,13H,6,10-12H2,1-2H3
InChIKeyBUGOYINOWFBXKS-UHFFFAOYSA-N
MW239.36 g/mol
LogP4.45
Rot. Bonds1

About 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine

11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine (PubChem CID 70973534) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine
PubChem CID70973534
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine
SMILESCC(C)N1C2=C(C=CCC2)CCc2ccccc21
InChIInChI=1S/C17H21N/c1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h3-5,7-9,13H,6,10-12H2,1-2H3
InChIKeyBUGOYINOWFBXKS-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine?
The IUPAC name of 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine (CID 70973534) is 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine is CC(C)N1C2=C(C=CCC2)CCc2ccccc21.
What is the InChIKey of 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine?
The InChIKey is BUGOYINOWFBXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-13(2)18-16-9-5-3-7-14(16)11-12-15-8-4-6-10-17(15)18/h3-5,7-9,13H,6,10-12H2,1-2H3.
What are the key properties of 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine?
11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine has a molecular weight of 239.36 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propan-2-yl-5,6,9,10-tetrahydrobenzo[b][1]benzazepine is sourced from PubChem (CID 70973534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).