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

C19H21NSe — CID 6857911

IUPAC(3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2C[Se]c2ccccc21
InChIInChI=1S/C19H21NSe/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
InChIKeyFRLYHPYPKTXYQN-BOPFTXTBSA-N
MW342.34 g/mol
LogP2.91
Rot. Bonds3

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

(3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine (PubChem CID 6857911) has the molecular formula C19H21NSe and a molecular weight of 342.34 g/mol. Its IUPAC name is (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name(3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine
PubChem CID6857911
Molecular FormulaC19H21NSe
Molecular Weight342.34 g/mol
Exact Mass343.08
IUPAC Name(3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2C[Se]c2ccccc21
InChIInChI=1S/C19H21NSe/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
InChIKeyFRLYHPYPKTXYQN-BOPFTXTBSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;methane
CID 117064953
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine chloride
CID 18415560
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine;sulfuryl dichloride
CID 19964142
(3Z)-N,N-dimethyl-3-(5-methyl-6H-benzo[c][1]benzazepin-11-ylidene)propan-1-amine
CID 10062940
N,N-dimethyl-3-(9-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
CID 77390822
(3Z)-3-(6-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 146488072
(3E)-3-(6-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 90474628
(3E)-3-(9-ethyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 67976858
bis(N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine);hydrochloride
CID 69259794
(3Z)-N,N-dimethyl-3-(4-oxo-5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
CID 6445828
(3Z)-3-(2-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 67781692
3-(2-bromo-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 54366501

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The IUPAC name of (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine (CID 6857911) is (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The canonical SMILES for (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine is CN(C)CC/C=C1/c2ccccc2C[Se]c2ccccc21.
What is the InChIKey of (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine?
The InChIKey is FRLYHPYPKTXYQN-BOPFTXTBSA-N. The full InChI is InChI=1S/C19H21NSe/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-.
What are the key properties of (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine?
(3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine has a molecular weight of 342.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(6H-benzo[c][1]benzoselenepin-11-ylidene)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 6857911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).