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

C21H25NO — CID 139024692

IUPAC(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC/C=C1/c2ccccc2COc2ccccc21
InChIInChI=1S/C21H25NO/c1-3-22(4-2)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,3-4,9,15-16H2,1-2H3/b19-13-
InChIKeyQSPUJSKDVCCWOB-UYRXBGFRSA-N
MW307.44 g/mol
LogP4.74
Rot. Bonds5

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

(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine (PubChem CID 139024692) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine
PubChem CID139024692
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CC/C=C1/c2ccccc2COc2ccccc21
InChIInChI=1S/C21H25NO/c1-3-22(4-2)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,3-4,9,15-16H2,1-2H3/b19-13-
InChIKeyQSPUJSKDVCCWOB-UYRXBGFRSA-N
XLogP4.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-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

(11Z)-11-butylidene-6H-benzo[c][1]benzoxepine
CID 59586813
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine
CID 91709650
11-(3-chloropropylidene)-6H-benzo[c][1]benzoxepine
CID 67069125
3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl-methylcarbamic acid
CID 67789768
[(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
(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
CID 142906679
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
[5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol
CID 167935253
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-[methoxy(phenoxy)phosphoryl]-N-methylpropan-1-amine
CID 58600481

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine?
The IUPAC name of (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine (CID 139024692) is (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine.
What is the SMILES notation for (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine?
The canonical SMILES for (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine is CCN(CC)CC/C=C1/c2ccccc2COc2ccccc21.
What is the InChIKey of (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine?
The InChIKey is QSPUJSKDVCCWOB-UYRXBGFRSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-22(4-2)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,3-4,9,15-16H2,1-2H3/b19-13-.
What are the key properties of (3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine?
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.74, 5 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,N-diethylpropan-1-amine is sourced from PubChem (CID 139024692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).