N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine

C13H23N3S — CID 106572670

IUPACN-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine
SMILESCSCC(C)Cn1ccnc1NC1CCCC1
InChIInChI=1S/C13H23N3S/c1-11(10-17-2)9-16-8-7-14-13(16)15-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,14,15)
InChIKeyVZHGGZUODMHICU-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.24
Rot. Bonds6

About N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine

N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine (PubChem CID 106572670) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine
PubChem CID106572670
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine
SMILESCSCC(C)Cn1ccnc1NC1CCCC1
InChIInChI=1S/C13H23N3S/c1-11(10-17-2)9-16-8-7-14-13(16)15-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,14,15)
InChIKeyVZHGGZUODMHICU-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine?
The IUPAC name of N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine (CID 106572670) is N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine?
The canonical SMILES for N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine is CSCC(C)Cn1ccnc1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine?
The InChIKey is VZHGGZUODMHICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(10-17-2)9-16-8-7-14-13(16)15-12-5-3-4-6-12/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine?
N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine is sourced from PubChem (CID 106572670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).