N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine

C16H23N3S — CID 61335355

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCc1ccc(C(C)NC2CCCC2n2ccnc2)s1
InChIInChI=1S/C16H23N3S/c1-3-13-7-8-16(20-13)12(2)18-14-5-4-6-15(14)19-10-9-17-11-19/h7-12,14-15,18H,3-6H2,1-2H3
InChIKeyXXCLMFNRDUBZSK-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.95
Rot. Bonds5

About N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine (PubChem CID 61335355) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
PubChem CID61335355
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine
SMILESCCc1ccc(C(C)NC2CCCC2n2ccnc2)s1
InChIInChI=1S/C16H23N3S/c1-3-13-7-8-16(20-13)12(2)18-14-5-4-6-15(14)19-10-9-17-11-19/h7-12,14-15,18H,3-6H2,1-2H3
InChIKeyXXCLMFNRDUBZSK-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine (CID 61335355) is N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine is CCc1ccc(C(C)NC2CCCC2n2ccnc2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine?
The InChIKey is XXCLMFNRDUBZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-3-13-7-8-16(20-13)12(2)18-14-5-4-6-15(14)19-10-9-17-11-19/h7-12,14-15,18H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-imidazol-1-ylcyclopentan-1-amine has a molecular weight of 289.45 g/mol, XLogP of 3.95, 5 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)ethyl]-2-imidazol-1-ylcyclopentan-1-amine is sourced from PubChem (CID 61335355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).