1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine

C9H17N3S — CID 106573659

IUPAC1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
SMILESCSCCCNc1nc(C)cn1C
InChIInChI=1S/C9H17N3S/c1-8-7-12(2)9(11-8)10-5-4-6-13-3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyWYEQOLKZGVBNIW-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.89
Rot. Bonds5

About 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine

1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine (PubChem CID 106573659) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
PubChem CID106573659
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
SMILESCSCCCNc1nc(C)cn1C
InChIInChI=1S/C9H17N3S/c1-8-7-12(2)9(11-8)10-5-4-6-13-3/h7H,4-6H2,1-3H3,(H,10,11)
InChIKeyWYEQOLKZGVBNIW-UHFFFAOYSA-N
XLogP1.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.89
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 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The IUPAC name of 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine (CID 106573659) is 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine.
What is the SMILES notation for 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The canonical SMILES for 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine is CSCCCNc1nc(C)cn1C.
What is the InChIKey of 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
The InChIKey is WYEQOLKZGVBNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-8-7-12(2)9(11-8)10-5-4-6-13-3/h7H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine?
1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine is sourced from PubChem (CID 106573659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).