3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione

C10H19N3S — CID 61480438

IUPAC3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione
SMILESCC(C)C(CN(C)C)n1cc[nH]c1=S
InChIInChI=1S/C10H19N3S/c1-8(2)9(7-12(3)4)13-6-5-11-10(13)14/h5-6,8-9H,7H2,1-4H3,(H,11,14)
InChIKeyJUPJWJRMTCRXFE-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.30
Rot. Bonds4

About 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione

3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione (PubChem CID 61480438) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione
PubChem CID61480438
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione
SMILESCC(C)C(CN(C)C)n1cc[nH]c1=S
InChIInChI=1S/C10H19N3S/c1-8(2)9(7-12(3)4)13-6-5-11-10(13)14/h5-6,8-9H,7H2,1-4H3,(H,11,14)
InChIKeyJUPJWJRMTCRXFE-UHFFFAOYSA-N
XLogP2.30
TPSA23.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methylbutyl)-1H-imidazole-2-thione
CID 43148438
3-(2-methylbutan-2-yl)-1H-imidazole-2-thione
CID 43148476
3-(3-methylpentan-2-yl)-1H-imidazole-2-thione
CID 61463657
3-(2-methylpentan-3-yl)-1H-imidazole-2-thione
CID 61472489
3-(6-methylheptan-2-yl)-1H-imidazole-2-thione
CID 61472533
3-(1-pyrrolidin-1-ylpropan-2-yl)-1H-imidazole-2-thione
CID 61474736
3-[1-(dimethylamino)-4-methylpentan-2-yl]-1H-imidazole-2-thione
CID 61512339
3-[4-(dimethylamino)butan-2-yl]-1H-imidazole-2-thione
CID 61512376
3-[2-(dimethylamino)-2-methylpropyl]-1H-imidazole-2-thione
CID 61659438
3-[2-(dimethylamino)propyl]-1H-imidazole-2-thione
CID 61882592
3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-imidazole-2-thione
CID 61895084
3-(2,2-dimethylcyclopropyl)-1H-imidazole-2-thione
CID 61895272

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione?
The IUPAC name of 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione (CID 61480438) is 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione is CC(C)C(CN(C)C)n1cc[nH]c1=S.
What is the InChIKey of 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione?
The InChIKey is JUPJWJRMTCRXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)9(7-12(3)4)13-6-5-11-10(13)14/h5-6,8-9H,7H2,1-4H3,(H,11,14).
What are the key properties of 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione?
3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione has a molecular weight of 213.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-3-methylbutan-2-yl]-1H-imidazole-2-thione is sourced from PubChem (CID 61480438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).