N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine

C14H18N2Se — CID 102416697

IUPACN-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine
SMILESCc1ccc2nc(NC3CCCCC3)[se]c2c1
InChIInChI=1S/C14H18N2Se/c1-10-7-8-12-13(9-10)17-14(16-12)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,16)
InChIKeyPOXMFAAMCOQIHY-UHFFFAOYSA-N
MW293.27 g/mol
LogP3.34
Rot. Bonds2

About N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine

N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine (PubChem CID 102416697) has the molecular formula C14H18N2Se and a molecular weight of 293.27 g/mol. Its IUPAC name is N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine
PubChem CID102416697
Molecular FormulaC14H18N2Se
Molecular Weight293.27 g/mol
Exact Mass294.06
IUPAC NameN-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine
SMILESCc1ccc2nc(NC3CCCCC3)[se]c2c1
InChIInChI=1S/C14H18N2Se/c1-10-7-8-12-13(9-10)17-14(16-12)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,16)
InChIKeyPOXMFAAMCOQIHY-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-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

N-cycloheptyl-6-methylquinazolin-2-amine
CID 176973176
N-cyclohexyl-6-methylquinazolin-2-amine
CID 156833151
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
2-chloro-N-cyclohexyl-7-methylquinazolin-4-amine
CID 134109451
N-(2-methoxy-4-methylphenyl)cycloheptanamine
CID 54865924
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
methane;6-methyl-1,3-benzothiazole;methylcyclohexane
CID 158733044
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
N-cyclohexyl-1-(2,5-dimethylphenyl)imidazol-2-amine
CID 106558241
4-N-cyclohexyl-6-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135845
N-cyclopentyl-2-methoxy-4-methylaniline
CID 60932098

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine?
The IUPAC name of N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine (CID 102416697) is N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine.
What is the SMILES notation for N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine?
The canonical SMILES for N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine is Cc1ccc2nc(NC3CCCCC3)[se]c2c1.
What is the InChIKey of N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine?
The InChIKey is POXMFAAMCOQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2Se/c1-10-7-8-12-13(9-10)17-14(16-12)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H,15,16).
What are the key properties of N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine?
N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine has a molecular weight of 293.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methyl-1,3-benzoselenazol-2-amine is sourced from PubChem (CID 102416697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).