N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine

C12H15N3Se — CID 64502520

IUPACN-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine
SMILESCC1CCC(Nc2cccc3n[se]nc23)C1
InChIInChI=1S/C12H15N3Se/c1-8-5-6-9(7-8)13-10-3-2-4-11-12(10)15-16-14-11/h2-4,8-9,13H,5-7H2,1H3
InChIKeyINWUQXVUEFCKQG-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.29
Rot. Bonds2

About N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine

N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine (PubChem CID 64502520) has the molecular formula C12H15N3Se and a molecular weight of 280.23 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine
PubChem CID64502520
Molecular FormulaC12H15N3Se
Molecular Weight280.23 g/mol
Exact Mass281.04
IUPAC NameN-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine
SMILESCC1CCC(Nc2cccc3n[se]nc23)C1
InChIInChI=1S/C12H15N3Se/c1-8-5-6-9(7-8)13-10-3-2-4-11-12(10)15-16-14-11/h2-4,8-9,13H,5-7H2,1H3
InChIKeyINWUQXVUEFCKQG-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylcyclohexyl)-2,1,3-benzoselenadiazol-4-amine
CID 43715874
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoselenadiazol-4-amine
CID 43715873
N-(thiolan-3-yl)-2,1,3-benzoselenadiazol-4-amine
CID 43715883
N-(3-methylcyclopentyl)quinolin-5-amine
CID 64501004
N-(2,1,3-benzoselenadiazol-4-yl)-2-(cyclopropylamino)acetamide
CID 60843224
N-methyl-2,1,3-benzoselenadiazol-4-amine
CID 63091978
2-bromo-N-(3-methylcyclopentyl)aniline
CID 64501645
3-bromo-2-methyl-N-(3-methylcyclopentyl)aniline
CID 107629941
2-methyl-N-[(1R,3S)-3-methylcyclopentyl]pyridin-3-amine
CID 97044872
N-(3-methylcyclopentyl)-2-(pyrazol-1-ylmethyl)aniline
CID 64501283
2-methoxy-N-[(1R,3S)-3-methylcyclopentyl]aniline
CID 95376142
N-(3-methylcyclopentyl)-1H-indazol-4-amine
CID 64501114

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine?
The IUPAC name of N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine (CID 64502520) is N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine.
What is the SMILES notation for N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine?
The canonical SMILES for N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine is CC1CCC(Nc2cccc3n[se]nc23)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine?
The InChIKey is INWUQXVUEFCKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3Se/c1-8-5-6-9(7-8)13-10-3-2-4-11-12(10)15-16-14-11/h2-4,8-9,13H,5-7H2,1H3.
What are the key properties of N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine?
N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine has a molecular weight of 280.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-2,1,3-benzoselenadiazol-4-amine is sourced from PubChem (CID 64502520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).