5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C10H19N3S — CID 103090577

IUPAC5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1CCCSC
InChIInChI=1S/C10H19N3S/c1-3-6-13-9(5-4-7-14-2)8-12-10(13)11/h3,9H,1,4-8H2,2H3,(H2,11,12)
InChIKeyRQRZGWWGZVIUKC-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.31
Rot. Bonds6

About 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 103090577) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID103090577
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1CCCSC
InChIInChI=1S/C10H19N3S/c1-3-6-13-9(5-4-7-14-2)8-12-10(13)11/h3,9H,1,4-8H2,2H3,(H2,11,12)
InChIKeyRQRZGWWGZVIUKC-UHFFFAOYSA-N
XLogP1.31
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 103090577) is 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1CCCSC.
What is the InChIKey of 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is RQRZGWWGZVIUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-6-13-9(5-4-7-14-2)8-12-10(13)11/h3,9H,1,4-8H2,2H3,(H2,11,12).
What are the key properties of 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfanylpropyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 103090577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).