N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

C16H25N3S — CID 105009051

IUPACN-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1cc(C)c(C)s1
InChIInChI=1S/C16H25N3S/c1-5-7-17-14(15-10-12(3)13(4)20-15)11-16-18-8-9-19(16)6-2/h8-10,14,17H,5-7,11H2,1-4H3
InChIKeyGUBQLXQDHKUOJE-UHFFFAOYSA-N
MW291.46 g/mol
LogP3.86
Rot. Bonds7

About N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 105009051) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID105009051
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC NameN-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1cc(C)c(C)s1
InChIInChI=1S/C16H25N3S/c1-5-7-17-14(15-10-12(3)13(4)20-15)11-16-18-8-9-19(16)6-2/h8-10,14,17H,5-7,11H2,1-4H3
InChIKeyGUBQLXQDHKUOJE-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009197
N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321894
N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 79752632
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752603
N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105012328
N-[1-(3-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009218
N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009280
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 103444803
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009542

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (CID 105009051) is N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CC)c1cc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is GUBQLXQDHKUOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-5-7-17-14(15-10-12(3)13(4)20-15)11-16-18-8-9-19(16)6-2/h8-10,14,17H,5-7,11H2,1-4H3.
What are the key properties of N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105009051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).