N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine

C18H29N3 — CID 79577784

IUPACN-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN1CCN(C)c2ccccc21
InChIInChI=1S/C18H29N3/c1-3-19-16-8-6-7-15(16)11-12-21-14-13-20(2)17-9-4-5-10-18(17)21/h4-5,9-10,15-16,19H,3,6-8,11-14H2,1-2H3
InChIKeyWRHLSUINIGWNOF-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.11
Rot. Bonds5

About N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine

N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine (PubChem CID 79577784) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine
PubChem CID79577784
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine
SMILESCCNC1CCCC1CCN1CCN(C)c2ccccc21
InChIInChI=1S/C18H29N3/c1-3-19-16-8-6-7-15(16)11-12-21-14-13-20(2)17-9-4-5-10-18(17)21/h4-5,9-10,15-16,19H,3,6-8,11-14H2,1-2H3
InChIKeyWRHLSUINIGWNOF-UHFFFAOYSA-N
XLogP3.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine (CID 79577784) is N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine is CCNC1CCCC1CCN1CCN(C)c2ccccc21.
What is the InChIKey of N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine?
The InChIKey is WRHLSUINIGWNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-19-16-8-6-7-15(16)11-12-21-14-13-20(2)17-9-4-5-10-18(17)21/h4-5,9-10,15-16,19H,3,6-8,11-14H2,1-2H3.
What are the key properties of N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine?
N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 79577784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).