1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine

C10H19N3S — CID 114707509

IUPAC1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine
SMILESCSC(C)(C)Cn1cncc1C(C)N
InChIInChI=1S/C10H19N3S/c1-8(11)9-5-12-7-13(9)6-10(2,3)14-4/h5,7-8H,6,11H2,1-4H3
InChIKeyULWOKOFLDRAMSX-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.04
Rot. Bonds4

About 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine

1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine (PubChem CID 114707509) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine
PubChem CID114707509
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine
SMILESCSC(C)(C)Cn1cncc1C(C)N
InChIInChI=1S/C10H19N3S/c1-8(11)9-5-12-7-13(9)6-10(2,3)14-4/h5,7-8H,6,11H2,1-4H3
InChIKeyULWOKOFLDRAMSX-UHFFFAOYSA-N
XLogP2.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-2,2-dimethylpropanamide
CID 106278142
(1S)-1-[3-(2-ethoxy-2-methylpropyl)imidazol-4-yl]ethanamine
CID 104985229
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-[3-[2-(trifluoromethylsulfanyl)ethyl]imidazol-4-yl]ethanamine
CID 106433539
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
1-[3-(5,5,5-trifluoropentyl)imidazol-4-yl]ethanamine
CID 114707019
(1R)-1-[3-(2-methylbutan-2-yl)imidazol-4-yl]ethanamine
CID 104941998

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine (CID 114707509) is 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine is CSC(C)(C)Cn1cncc1C(C)N.
What is the InChIKey of 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine?
The InChIKey is ULWOKOFLDRAMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(11)9-5-12-7-13(9)6-10(2,3)14-4/h5,7-8H,6,11H2,1-4H3.
What are the key properties of 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine?
1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine has a molecular weight of 213.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-2-methylsulfanylpropyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114707509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).