N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C17H27N3S — CID 105012328

IUPACN-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)c1ccc(CC)s1
InChIInChI=1S/C17H27N3S/c1-4-9-18-15(16-8-7-14(6-3)21-16)13-17-19-10-12-20(17)11-5-2/h7-8,10,12,15,18H,4-6,9,11,13H2,1-3H3
InChIKeyVZGODILUJWNFBR-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.20
Rot. Bonds9

About N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 105012328) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID105012328
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC NameN-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)c1ccc(CC)s1
InChIInChI=1S/C17H27N3S/c1-4-9-18-15(16-8-7-14(6-3)21-16)13-17-19-10-12-20(17)11-5-2/h7-8,10,12,15,18H,4-6,9,11,13H2,1-3H3
InChIKeyVZGODILUJWNFBR-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752603
N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 104805932
N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79751340
1-(5-ethylthiophen-2-yl)-N-propylbutan-1-amine
CID 43494311
N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009051
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012426
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009280
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[2-(5-ethylthiophen-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115842479

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 105012328) is N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CCC)c1ccc(CC)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is VZGODILUJWNFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-4-9-18-15(16-8-7-14(6-3)21-16)13-17-19-10-12-20(17)11-5-2/h7-8,10,12,15,18H,4-6,9,11,13H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 305.49 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105012328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).