4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine

C10H20N2Se — CID 139592027

IUPAC4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine
SMILESCCCCC1=C(CCC)[Se]C(N)N1
InChIInChI=1S/C10H20N2Se/c1-3-5-7-8-9(6-4-2)13-10(11)12-8/h10,12H,3-7,11H2,1-2H3
InChIKeySVKBTTGTMLPFLO-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.74
Rot. Bonds5

About 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine

4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine (PubChem CID 139592027) has the molecular formula C10H20N2Se and a molecular weight of 247.24 g/mol. Its IUPAC name is 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine.

Molecular Properties

Compound Name4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine
PubChem CID139592027
Molecular FormulaC10H20N2Se
Molecular Weight247.24 g/mol
Exact Mass248.08
IUPAC Name4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine
SMILESCCCCC1=C(CCC)[Se]C(N)N1
InChIInChI=1S/C10H20N2Se/c1-3-5-7-8-9(6-4-2)13-10(11)12-8/h10,12H,3-7,11H2,1-2H3
InChIKeySVKBTTGTMLPFLO-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine?
The IUPAC name of 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine (CID 139592027) is 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine.
What is the SMILES notation for 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine?
The canonical SMILES for 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine is CCCCC1=C(CCC)[Se]C(N)N1.
What is the InChIKey of 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine?
The InChIKey is SVKBTTGTMLPFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2Se/c1-3-5-7-8-9(6-4-2)13-10(11)12-8/h10,12H,3-7,11H2,1-2H3.
What are the key properties of 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine?
4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine has a molecular weight of 247.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-propyl-2,3-dihydro-1,3-selenazol-2-amine is sourced from PubChem (CID 139592027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).