1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine

C11H21N3S — CID 106581680

IUPAC1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
SMILESCSC(C)CCn1ccnc1NC(C)C
InChIInChI=1S/C11H21N3S/c1-9(2)13-11-12-6-8-14(11)7-5-10(3)15-4/h6,8-10H,5,7H2,1-4H3,(H,12,13)
InChIKeyAWYGFUAWFHZSPH-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.85
Rot. Bonds6

About 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine

1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106581680) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
PubChem CID106581680
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
SMILESCSC(C)CCn1ccnc1NC(C)C
InChIInChI=1S/C11H21N3S/c1-9(2)13-11-12-6-8-14(11)7-5-10(3)15-4/h6,8-10H,5,7H2,1-4H3,(H,12,13)
InChIKeyAWYGFUAWFHZSPH-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine (CID 106581680) is 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine is CSC(C)CCn1ccnc1NC(C)C.
What is the InChIKey of 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is AWYGFUAWFHZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(2)13-11-12-6-8-14(11)7-5-10(3)15-4/h6,8-10H,5,7H2,1-4H3,(H,12,13).
What are the key properties of 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine?
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106581680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).