3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine

C18H22N2 — CID 3047746

IUPAC3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine
SMILESCNCCCN1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C18H22N2/c1-19-11-6-12-20-14-17-9-3-2-7-15(17)13-16-8-4-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
InChIKeyUVWYAZFZHPZJOT-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.21
Rot. Bonds4

About 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine

3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine (PubChem CID 3047746) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine
PubChem CID3047746
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine
SMILESCNCCCN1Cc2ccccc2Cc2ccccc21
InChIInChI=1S/C18H22N2/c1-19-11-6-12-20-14-17-9-3-2-7-15(17)13-16-8-4-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
InChIKeyUVWYAZFZHPZJOT-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine (CID 3047746) is 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine is CNCCCN1Cc2ccccc2Cc2ccccc21.
What is the InChIKey of 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine?
The InChIKey is UVWYAZFZHPZJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-11-6-12-20-14-17-9-3-2-7-15(17)13-16-8-4-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3.
What are the key properties of 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine?
3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,11-dihydrobenzo[c][1]benzazepin-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 3047746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).