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

C12H23N3S — CID 103090246

IUPAC3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(CCCSC)c1N
InChIInChI=1S/C12H23N3S/c1-5-15-11(13)10(7-6-8-16-4)14-12(15)9(2)3/h9H,5-8,13H2,1-4H3
InChIKeyQPDQHJWMHORPEF-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.90
Rot. Bonds6

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

3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine (PubChem CID 103090246) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
PubChem CID103090246
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(CCCSC)c1N
InChIInChI=1S/C12H23N3S/c1-5-15-11(13)10(7-6-8-16-4)14-12(15)9(2)3/h9H,5-8,13H2,1-4H3
InChIKeyQPDQHJWMHORPEF-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.90
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-(2-methylpropyl)-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine
CID 103090250
5-butyl-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62220138
2-tert-butyl-4-(3-methylsulfanylpropyl)imidazole-1,5-diamine
CID 103090301
2-propan-2-yl-4-propylimidazole-1,5-diamine
CID 62506447
5-(3-methylsulfanylpropyl)-3-propylimidazol-4-amine
CID 103090206
3,5-bis(2-methylpropyl)-2-propan-2-ylimidazol-4-amine
CID 55048363
2-cyclopentyl-3-methyl-5-(3-methylsulfanylpropyl)imidazol-4-amine
CID 103090267
2-ethyl-5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62224906
5-(2-methylsulfanylethyl)-3-propan-2-ylimidazol-4-amine
CID 62076810
5-(3,5-difluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 106531922
5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 63469094
3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62218375

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine (CID 103090246) is 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine is CCn1c(C(C)C)nc(CCCSC)c1N.
What is the InChIKey of 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine?
The InChIKey is QPDQHJWMHORPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-15-11(13)10(7-6-8-16-4)14-12(15)9(2)3/h9H,5-8,13H2,1-4H3.
What are the key properties of 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine?
3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine has a molecular weight of 241.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 103090246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).