5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine

C10H19N3S — CID 103090206

IUPAC5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
SMILESCCCn1cnc(CCCSC)c1N
InChIInChI=1S/C10H19N3S/c1-3-6-13-8-12-9(10(13)11)5-4-7-14-2/h8H,3-7,11H2,1-2H3
InChIKeyWSSSGMWHWPEMJS-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.17
Rot. Bonds6

About 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine

5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine (PubChem CID 103090206) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
PubChem CID103090206
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
SMILESCCCn1cnc(CCCSC)c1N
InChIInChI=1S/C10H19N3S/c1-3-6-13-8-12-9(10(13)11)5-4-7-14-2/h8H,3-7,11H2,1-2H3
InChIKeyWSSSGMWHWPEMJS-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 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 ≤ 52.17
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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Related Compounds

3-methyl-5-(2-methylsulfanylethyl)imidazol-4-amine
CID 62081509
5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62076810
5-heptyl-3-methylimidazol-4-amine
CID 62081508
3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
CID 103090246
5-ethyl-3-propan-2-ylimidazol-4-amine
CID 62076644
2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine
CID 103090267
3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
CID 103090250
2-tert-butyl-4-(3-methylsulfanylpropyl)imidazole-1,5-diamine
CID 103090301
(1R)-1-[3-(3-methylsulfanylpropyl)imidazol-4-yl]propan-1-amine
CID 104943152
3-benzyl-5-ethylimidazol-4-amine
CID 58192367
4-(chloromethyl)-5-methyl-1-propylimidazole;hydrochloride
CID 22938379
5-(2-chlorophenyl)-3-propylimidazol-4-amine
CID 62017724

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine?
The IUPAC name of 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine (CID 103090206) is 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine?
The canonical SMILES for 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine is CCCn1cnc(CCCSC)c1N.
What is the InChIKey of 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine?
The InChIKey is WSSSGMWHWPEMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-6-13-8-12-9(10(13)11)5-4-7-14-2/h8H,3-7,11H2,1-2H3.
What are the key properties of 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine?
5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine has a molecular weight of 213.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine is sourced from PubChem (CID 103090206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).