2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine

C10H19N3S — CID 114720425

IUPAC2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
SMILESCSCC(C)Cn1cncc1CCN
InChIInChI=1S/C10H19N3S/c1-9(7-14-2)6-13-8-12-5-10(13)3-4-11/h5,8-9H,3-4,6-7,11H2,1-2H3
InChIKeyRBGSMRBHVJPBQY-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.38
Rot. Bonds6

About 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine

2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine (PubChem CID 114720425) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
PubChem CID114720425
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine
SMILESCSCC(C)Cn1cncc1CCN
InChIInChI=1S/C10H19N3S/c1-9(7-14-2)6-13-8-12-5-10(13)3-4-11/h5,8-9H,3-4,6-7,11H2,1-2H3
InChIKeyRBGSMRBHVJPBQY-UHFFFAOYSA-N
XLogP1.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-ethylbutyl)imidazol-4-yl]ethanamine
CID 114722545
2-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]ethanamine
CID 114721367
3-[3-(2-methylpropyl)imidazol-4-yl]propan-1-amine
CID 83875884
tert-butyl N-[2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114720434
2-(3-prop-2-enylimidazol-4-yl)ethanamine
CID 114717587
N-methyl-2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]propan-2-amine
CID 114708302
(1R)-1-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]-2-phenylethanamine
CID 104943111
2-[3-(2-methoxyethyl)imidazol-4-yl]ethanamine
CID 114717344
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
CID 114719479
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-4-yl]ethanamine
CID 114718520
1-[[5-(2-aminoethyl)imidazol-1-yl]methyl]-N,N-dimethylcyclopentan-1-amine
CID 114721672
1-(2-methyl-3-methylsulfanylpropyl)-5-pyrrolidin-2-ylimidazole
CID 114706051

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine (CID 114720425) is 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine is CSCC(C)Cn1cncc1CCN.
What is the InChIKey of 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine?
The InChIKey is RBGSMRBHVJPBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9(7-14-2)6-13-8-12-5-10(13)3-4-11/h5,8-9H,3-4,6-7,11H2,1-2H3.
What are the key properties of 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine?
2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine has a molecular weight of 213.35 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114720425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).