1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol

C17H27N3O — CID 79587863

IUPAC1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol
SMILESCN1CCN(CCC2CCCC2(O)CN)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-19-11-12-20(16-7-3-2-6-15(16)19)10-8-14-5-4-9-17(14,21)13-18/h2-3,6-7,14,21H,4-5,8-13,18H2,1H3
InChIKeyBKACXRJXEOZJND-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.82
Rot. Bonds4

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

1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol (PubChem CID 79587863) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol
PubChem CID79587863
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol
SMILESCN1CCN(CCC2CCCC2(O)CN)c2ccccc21
InChIInChI=1S/C17H27N3O/c1-19-11-12-20(16-7-3-2-6-15(16)19)10-8-14-5-4-9-17(14,21)13-18/h2-3,6-7,14,21H,4-5,8-13,18H2,1H3
InChIKeyBKACXRJXEOZJND-UHFFFAOYSA-N
XLogP1.82
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol (CID 79587863) is 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol is CN1CCN(CCC2CCCC2(O)CN)c2ccccc21.
What is the InChIKey of 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol?
The InChIKey is BKACXRJXEOZJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-11-12-20(16-7-3-2-6-15(16)19)10-8-14-5-4-9-17(14,21)13-18/h2-3,6-7,14,21H,4-5,8-13,18H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).