N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine

C12H16N2Se — CID 10989227

IUPACN,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine
SMILESCN(C)C1(C)C[Se]C(c2ccccc2)=N1
InChIInChI=1S/C12H16N2Se/c1-12(14(2)3)9-15-11(13-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyMLCWKZKCJCVCES-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.85
Rot. Bonds2

About N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine

N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine (PubChem CID 10989227) has the molecular formula C12H16N2Se and a molecular weight of 267.23 g/mol. Its IUPAC name is N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine
PubChem CID10989227
Molecular FormulaC12H16N2Se
Molecular Weight267.23 g/mol
Exact Mass268.05
IUPAC NameN,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine
SMILESCN(C)C1(C)C[Se]C(c2ccccc2)=N1
InChIInChI=1S/C12H16N2Se/c1-12(14(2)3)9-15-11(13-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyMLCWKZKCJCVCES-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4-phenyl-2H-imidazole
CID 12421868
N-Methyl-N-(phenylmethylene)methanaminium
CID 124759
1,2-Ethanediamine, N,N-dimethyl-N'-(phenylmethylene)-
CID 11367308
CID 14921038
CID 14921038
trimethyl-[(E)-1-phenylethylideneamino]azanium
CID 6054251
N'-Benzylene-N,N-dimethylpropane-1,3-diamine
CID 12075200
phenyl N-methylbenzenecarboximidoselenoate
CID 12557552
Dimethyl-[1-[[methylselanyl(phenyl)methylidene]amino]ethylidene]azanium iodide
CID 15896430
N,N-diethyl-2-(1-phenylethylideneamino)ethanamine
CID 134939054
dimethyl-[(2Z)-2-(4-methyl-5-phenyldiselenol-3-ylidene)propylidene]azanium
CID 135051355
dimethyl-[(3-phenyl-5,6-dihydro-4H-1,2-benzodiselenol-7-yl)methylidene]azanium
CID 135051357
dimethyl-[(2Z)-2-(5-phenyldiselenol-3-ylidene)ethylidene]azanium
CID 135051550

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine?
The IUPAC name of N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine (CID 10989227) is N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine.
What is the SMILES notation for N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine?
The canonical SMILES for N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine is CN(C)C1(C)C[Se]C(c2ccccc2)=N1.
What is the InChIKey of N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine?
The InChIKey is MLCWKZKCJCVCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2Se/c1-12(14(2)3)9-15-11(13-12)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine?
N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine has a molecular weight of 267.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-phenyl-5H-1,3-selenazol-4-amine is sourced from PubChem (CID 10989227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).