1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine

C18H22N2 — CID 70499116

IUPAC1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1Nc2ccccc2Cc2ccccc21
InChIInChI=1S/C18H22N2/c1-3-16(19-2)18-15-10-6-4-8-13(15)12-14-9-5-7-11-17(14)20-18/h4-11,16,18-20H,3,12H2,1-2H3
InChIKeyROCLAKVCWZLHIS-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.74
Rot. Bonds3

About 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine

1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine (PubChem CID 70499116) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine
PubChem CID70499116
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine
SMILESCCC(NC)C1Nc2ccccc2Cc2ccccc21
InChIInChI=1S/C18H22N2/c1-3-16(19-2)18-15-10-6-4-8-13(15)12-14-9-5-7-11-17(14)20-18/h4-11,16,18-20H,3,12H2,1-2H3
InChIKeyROCLAKVCWZLHIS-UHFFFAOYSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine (CID 70499116) is 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine is CCC(NC)C1Nc2ccccc2Cc2ccccc21.
What is the InChIKey of 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine?
The InChIKey is ROCLAKVCWZLHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-16(19-2)18-15-10-6-4-8-13(15)12-14-9-5-7-11-17(14)20-18/h4-11,16,18-20H,3,12H2,1-2H3.
What are the key properties of 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine?
1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 70499116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).