1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine

C12H23N3S — CID 102969894

IUPAC1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCCSCC(C)n1cncc1C(N)C(C)C
InChIInChI=1S/C12H23N3S/c1-5-16-7-10(4)15-8-14-6-11(15)12(13)9(2)3/h6,8-10,12H,5,7,13H2,1-4H3
InChIKeyIDTCEAVQOAFDAG-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.85
Rot. Bonds6

About 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine

1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102969894) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID102969894
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCCSCC(C)n1cncc1C(N)C(C)C
InChIInChI=1S/C12H23N3S/c1-5-16-7-10(4)15-8-14-6-11(15)12(13)9(2)3/h6,8-10,12H,5,7,13H2,1-4H3
InChIKeyIDTCEAVQOAFDAG-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104944006
2-methyl-1-(3-octan-2-ylimidazol-4-yl)propan-1-amine
CID 102969584
2-methyl-1-(3-pent-4-yn-2-ylimidazol-4-yl)propan-1-amine
CID 102969862
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
1-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707825
2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
CID 102969725
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969585
methyl 2-[5-(1-amino-2-methylpropyl)imidazol-1-yl]propanoate
CID 102969607
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
1-[3-[1-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969505

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine (CID 102969894) is 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine is CCSCC(C)n1cncc1C(N)C(C)C.
What is the InChIKey of 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is IDTCEAVQOAFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-16-7-10(4)15-8-14-6-11(15)12(13)9(2)3/h6,8-10,12H,5,7,13H2,1-4H3.
What are the key properties of 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102969894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).