3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine

C14H27N3S — CID 103090250

IUPAC3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCSCCCc1nc(C(C)C)n(CC(C)C)c1N
InChIInChI=1S/C14H27N3S/c1-10(2)9-17-13(15)12(7-6-8-18-5)16-14(17)11(3)4/h10-11H,6-9,15H2,1-5H3
InChIKeyOMRJYXQFVOTCJH-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.54
Rot. Bonds7

About 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine

3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 103090250) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
PubChem CID103090250
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCSCCCc1nc(C(C)C)n(CC(C)C)c1N
InChIInChI=1S/C14H27N3S/c1-10(2)9-17-13(15)12(7-6-8-18-5)16-14(17)11(3)4/h10-11H,6-9,15H2,1-5H3
InChIKeyOMRJYXQFVOTCJH-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.54
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-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
CID 103090246
3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
CID 55048363
5-benzyl-3-(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
CID 62220900
5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62220138
2-tert-butyl-4-(3-methylsulfanylpropyl)imidazole-1,5-diamine
CID 103090301
5-ethyl-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62225409
5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
CID 103090206
5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62076810
2-propan-2-yl-4-propylimidazole-1,5-diamine
CID 62506447
2-cyclopentyl-5-(2-ethylsulfanylethyl)-3-(2-methylpropyl)imidazol-4-amine
CID 116504964
2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62224906
2-cyclopropyl-5-ethyl-3-(2-methylpropyl)imidazol-4-amine
CID 62218612

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine (CID 103090250) is 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine is CSCCCc1nc(C(C)C)n(CC(C)C)c1N.
What is the InChIKey of 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is OMRJYXQFVOTCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-10(2)9-17-13(15)12(7-6-8-18-5)16-14(17)11(3)4/h10-11H,6-9,15H2,1-5H3.
What are the key properties of 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine?
3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 269.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 103090250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).