2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine

C13H23N3S — CID 103090267

IUPAC2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine
SMILESCSCCCc1nc(C2CCCC2)n(C)c1N
InChIInChI=1S/C13H23N3S/c1-16-12(14)11(8-5-9-17-2)15-13(16)10-6-3-4-7-10/h10H,3-9,14H2,1-2H3
InChIKeyRVKIHOVIIGBVPK-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.96
Rot. Bonds5

About 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine

2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine (PubChem CID 103090267) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine
PubChem CID103090267
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine
SMILESCSCCCc1nc(C2CCCC2)n(C)c1N
InChIInChI=1S/C13H23N3S/c1-16-12(14)11(8-5-9-17-2)15-13(16)10-6-3-4-7-10/h10H,3-9,14H2,1-2H3
InChIKeyRVKIHOVIIGBVPK-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine?
The IUPAC name of 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine (CID 103090267) is 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine?
The canonical SMILES for 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine is CSCCCc1nc(C2CCCC2)n(C)c1N.
What is the InChIKey of 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine?
The InChIKey is RVKIHOVIIGBVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-16-12(14)11(8-5-9-17-2)15-13(16)10-6-3-4-7-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine?
2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine has a molecular weight of 253.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine is sourced from PubChem (CID 103090267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).