1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine

C16H25N3S — CID 106565397

IUPAC1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NC(C)c1cc(C)sc1C
InChIInChI=1S/C16H25N3S/c1-6-7-8-19-10-11(2)17-16(19)18-13(4)15-9-12(3)20-14(15)5/h9-10,13H,6-8H2,1-5H3,(H,17,18)
InChIKeyYODWOVOUMNUMAX-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.84
Rot. Bonds6

About 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine

1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine (PubChem CID 106565397) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine
PubChem CID106565397
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine
SMILESCCCCn1cc(C)nc1NC(C)c1cc(C)sc1C
InChIInChI=1S/C16H25N3S/c1-6-7-8-19-10-11(2)17-16(19)18-13(4)15-9-12(3)20-14(15)5/h9-10,13H,6-8H2,1-5H3,(H,17,18)
InChIKeyYODWOVOUMNUMAX-UHFFFAOYSA-N
XLogP4.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
N-[1-(3-bromophenyl)ethyl]-1-butyl-4-methylimidazol-2-amine
CID 106564464
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
4-methyl-1-propyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 106570913
1-butyl-4-methyl-N-octylimidazol-2-amine
CID 106578853
3,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037604
N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106565809
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169277

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine (CID 106565397) is 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine is CCCCn1cc(C)nc1NC(C)c1cc(C)sc1C.
What is the InChIKey of 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine?
The InChIKey is YODWOVOUMNUMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-6-7-8-19-10-11(2)17-16(19)18-13(4)15-9-12(3)20-14(15)5/h9-10,13H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine?
1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine has a molecular weight of 291.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106565397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).