2-cyclohexyl-1-quinoxalin-5-ylethanamine

C16H21N3 — CID 105135471

IUPAC2-cyclohexyl-1-quinoxalin-5-ylethanamine
SMILESNC(CC1CCCCC1)c1cccc2nccnc12
InChIInChI=1S/C16H21N3/c17-14(11-12-5-2-1-3-6-12)13-7-4-8-15-16(13)19-10-9-18-15/h4,7-10,12,14H,1-3,5-6,11,17H2
InChIKeyZGEHJXLPYKVSPB-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.60
Rot. Bonds3

About 2-cyclohexyl-1-quinoxalin-5-ylethanamine

2-cyclohexyl-1-quinoxalin-5-ylethanamine (PubChem CID 105135471) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-cyclohexyl-1-quinoxalin-5-ylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-quinoxalin-5-ylethanamine
PubChem CID105135471
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-cyclohexyl-1-quinoxalin-5-ylethanamine
SMILESNC(CC1CCCCC1)c1cccc2nccnc12
InChIInChI=1S/C16H21N3/c17-14(11-12-5-2-1-3-6-12)13-7-4-8-15-16(13)19-10-9-18-15/h4,7-10,12,14H,1-3,5-6,11,17H2
InChIKeyZGEHJXLPYKVSPB-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine
CID 105138578
cycloheptyl(quinoxalin-5-yl)methanol
CID 105122139
2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
(4-ethylcyclohexyl)-quinoxalin-5-ylmethanamine
CID 105155175
1-quinoxalin-5-ylpent-4-yn-1-amine
CID 105148979
(1R)-2-cyclohexyl-1-pyridin-2-ylethanamine
CID 15808925
2-cycloheptyl-1-phenylethanamine
CID 21261900
[oxan-4-yl(quinoxalin-5-yl)methyl]hydrazine
CID 105306260
3-cyclopentyl-1-quinolin-5-ylpropan-1-amine
CID 105020216
2-(5-ethylthiophen-2-yl)-1-quinoxalin-5-ylethanamine
CID 105135907

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-quinoxalin-5-ylethanamine?
The IUPAC name of 2-cyclohexyl-1-quinoxalin-5-ylethanamine (CID 105135471) is 2-cyclohexyl-1-quinoxalin-5-ylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-quinoxalin-5-ylethanamine?
The canonical SMILES for 2-cyclohexyl-1-quinoxalin-5-ylethanamine is NC(CC1CCCCC1)c1cccc2nccnc12.
What is the InChIKey of 2-cyclohexyl-1-quinoxalin-5-ylethanamine?
The InChIKey is ZGEHJXLPYKVSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-14(11-12-5-2-1-3-6-12)13-7-4-8-15-16(13)19-10-9-18-15/h4,7-10,12,14H,1-3,5-6,11,17H2.
What are the key properties of 2-cyclohexyl-1-quinoxalin-5-ylethanamine?
2-cyclohexyl-1-quinoxalin-5-ylethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-quinoxalin-5-ylethanamine is sourced from PubChem (CID 105135471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).