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

C11H21N3S — CID 104944006

IUPAC(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine
SMILESCCSCC(C)n1cncc1[C@H](N)CC
InChIInChI=1S/C11H21N3S/c1-4-10(12)11-6-13-8-14(11)9(3)7-15-5-2/h6,8-10H,4-5,7,12H2,1-3H3/t9?,10-/m1/s1
InChIKeyPWMBFTVTXGGUAR-QVDQXJPCSA-N
MW227.38 g/mol
LogP2.61
Rot. Bonds6

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

(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine (PubChem CID 104944006) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine
PubChem CID104944006
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine
SMILESCCSCC(C)n1cncc1[C@H](N)CC
InChIInChI=1S/C11H21N3S/c1-4-10(12)11-6-13-8-14(11)9(3)7-15-5-2/h6,8-10H,4-5,7,12H2,1-3H3/t9?,10-/m1/s1
InChIKeyPWMBFTVTXGGUAR-QVDQXJPCSA-N
XLogP2.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969894
1-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707825
(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104942805
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
(1R)-1-(3-but-3-en-2-ylimidazol-4-yl)propan-1-amine
CID 104943762
(1R)-1-[3-[1-(furan-2-yl)propan-2-yl]imidazol-4-yl]propan-1-amine
CID 104942476
(1R)-1-[3-(1-cyclopropylbutan-2-yl)imidazol-4-yl]propan-1-amine
CID 104943185
(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942473
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
CID 114705562
3-methyl-1-[3-(4-methylsulfanylbutan-2-yl)imidazol-4-yl]butan-1-amine
CID 114707577
(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942416

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine (CID 104944006) is (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine is CCSCC(C)n1cncc1[C@H](N)CC.
What is the InChIKey of (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine?
The InChIKey is PWMBFTVTXGGUAR-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-10(12)11-6-13-8-14(11)9(3)7-15-5-2/h6,8-10H,4-5,7,12H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-ethylsulfanylpropan-2-yl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104944006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).