3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine

C19H23NO — CID 90901955

IUPAC3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC=C1C2=C(CCC=C2)OCc2ccccc21
InChIInChI=1S/C19H23NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-5,8-11H,6-7,12-14H2,1-2H3
InChIKeyYKDWZNYXLDPJDL-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.16
Rot. Bonds3

About 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine

3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine (PubChem CID 90901955) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
PubChem CID90901955
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCC=C1C2=C(CCC=C2)OCc2ccccc21
InChIInChI=1S/C19H23NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-5,8-11H,6-7,12-14H2,1-2H3
InChIKeyYKDWZNYXLDPJDL-UHFFFAOYSA-N
XLogP4.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine (CID 90901955) is 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine is CN(C)CCC=C1C2=C(CCC=C2)OCc2ccccc21.
What is the InChIKey of 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The InChIKey is YKDWZNYXLDPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-5,8-11H,6-7,12-14H2,1-2H3.
What are the key properties of 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine?
3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dihydro-3H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 90901955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).