N-(quinoxalin-5-ylmethyl)cyclopentanamine

C14H17N3 — CID 104614218

IUPACN-(quinoxalin-5-ylmethyl)cyclopentanamine
SMILESc1cc(CNC2CCCC2)c2nccnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-12(5-1)17-10-11-4-3-7-13-14(11)16-9-8-15-13/h3-4,7-9,12,17H,1-2,5-6,10H2
InChIKeyXREOKFVNYRBQIL-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.66
Rot. Bonds3

About N-(quinoxalin-5-ylmethyl)cyclopentanamine

N-(quinoxalin-5-ylmethyl)cyclopentanamine (PubChem CID 104614218) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(quinoxalin-5-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(quinoxalin-5-ylmethyl)cyclopentanamine
PubChem CID104614218
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-(quinoxalin-5-ylmethyl)cyclopentanamine
SMILESc1cc(CNC2CCCC2)c2nccnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-12(5-1)17-10-11-4-3-7-13-14(11)16-9-8-15-13/h3-4,7-9,12,17H,1-2,5-6,10H2
InChIKeyXREOKFVNYRBQIL-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinoxalin-5-ylmethyl)cycloheptanamine
CID 104614220
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine
CID 104614221
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
CID 104614230
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
3-pyrrolidin-1-yl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614273

Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-5-ylmethyl)cyclopentanamine?
The IUPAC name of N-(quinoxalin-5-ylmethyl)cyclopentanamine (CID 104614218) is N-(quinoxalin-5-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(quinoxalin-5-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(quinoxalin-5-ylmethyl)cyclopentanamine is c1cc(CNC2CCCC2)c2nccnc2c1.
What is the InChIKey of N-(quinoxalin-5-ylmethyl)cyclopentanamine?
The InChIKey is XREOKFVNYRBQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-6-12(5-1)17-10-11-4-3-7-13-14(11)16-9-8-15-13/h3-4,7-9,12,17H,1-2,5-6,10H2.
What are the key properties of N-(quinoxalin-5-ylmethyl)cyclopentanamine?
N-(quinoxalin-5-ylmethyl)cyclopentanamine has a molecular weight of 227.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-5-ylmethyl)cyclopentanamine is sourced from PubChem (CID 104614218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).