(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine

C21H27NOSi — CID 91709650

IUPAC(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine
SMILESCN(CC/C=C1/c2ccccc2COc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C21H27NOSi/c1-22(24(2,3)4)15-9-13-19-18-11-6-5-10-17(18)16-23-21-14-8-7-12-20(19)21/h5-8,10-14H,9,15-16H2,1-4H3/b19-13-
InChIKeyFSKYDGSNDYHCAJ-UYRXBGFRSA-N
MW337.54 g/mol
LogP5.17
Rot. Bonds4

About (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine

(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine (PubChem CID 91709650) has the molecular formula C21H27NOSi and a molecular weight of 337.54 g/mol. Its IUPAC name is (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine
PubChem CID91709650
Molecular FormulaC21H27NOSi
Molecular Weight337.54 g/mol
Exact Mass337.19
IUPAC Name(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine
SMILESCN(CC/C=C1/c2ccccc2COc2ccccc21)[Si](C)(C)C
InChIInChI=1S/C21H27NOSi/c1-22(24(2,3)4)15-9-13-19-18-11-6-5-10-17(18)16-23-21-14-8-7-12-20(19)21/h5-8,10-14H,9,15-16H2,1-4H3/b19-13-
InChIKeyFSKYDGSNDYHCAJ-UYRXBGFRSA-N
XLogP5.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine
CID 139024692
(11Z)-11-butylidene-6H-benzo[c][1]benzoxepine
CID 59586813
3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl-methylcarbamic acid
CID 67789768
11-(3-chloropropylidene)-6H-benzo[c][1]benzoxepine
CID 67069125
[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylazanium
CID 86308724
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride
CID 17908
3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 151240600
[5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol
CID 167935253
3-(2-bromo-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 54366501
(3Z)-3-(2-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 67781692
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-[methoxy(phenoxy)phosphoryl]-N-methylpropan-1-amine
CID 58600481
(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
CID 142906679

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine?
The IUPAC name of (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine (CID 91709650) is (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine.
What is the SMILES notation for (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine?
The canonical SMILES for (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine is CN(CC/C=C1/c2ccccc2COc2ccccc21)[Si](C)(C)C.
What is the InChIKey of (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine?
The InChIKey is FSKYDGSNDYHCAJ-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H27NOSi/c1-22(24(2,3)4)15-9-13-19-18-11-6-5-10-17(18)16-23-21-14-8-7-12-20(19)21/h5-8,10-14H,9,15-16H2,1-4H3/b19-13-.
What are the key properties of (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine?
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine has a molecular weight of 337.54 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine is sourced from PubChem (CID 91709650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).