N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine

C17H25N3Se — CID 43715873

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCCC(C)(C)C1CCC(Nc2cccc3n[se]nc23)CC1
InChIInChI=1S/C17H25N3Se/c1-4-17(2,3)12-8-10-13(11-9-12)18-14-6-5-7-15-16(14)20-21-19-15/h5-7,12-13,18H,4,8-11H2,1-3H3
InChIKeyQOMYQSBUSCSOEC-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.09
Rot. Bonds4

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine (PubChem CID 43715873) has the molecular formula C17H25N3Se and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine
PubChem CID43715873
Molecular FormulaC17H25N3Se
Molecular Weight350.37 g/mol
Exact Mass351.12
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine
SMILESCCC(C)(C)C1CCC(Nc2cccc3n[se]nc23)CC1
InChIInChI=1S/C17H25N3Se/c1-4-17(2,3)12-8-10-13(11-9-12)18-14-6-5-7-15-16(14)20-21-19-15/h5-7,12-13,18H,4,8-11H2,1-3H3
InChIKeyQOMYQSBUSCSOEC-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine (CID 43715873) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine is CCC(C)(C)C1CCC(Nc2cccc3n[se]nc23)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is QOMYQSBUSCSOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3Se/c1-4-17(2,3)12-8-10-13(11-9-12)18-14-6-5-7-15-16(14)20-21-19-15/h5-7,12-13,18H,4,8-11H2,1-3H3.
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 350.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 43715873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).