N-(quinoxalin-6-ylmethyl)ethanamine

C11H13N3 — CID 62848680

IUPACN-(quinoxalin-6-ylmethyl)ethanamine
SMILESCCNCc1ccc2nccnc2c1
InChIInChI=1S/C11H13N3/c1-2-12-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-7,12H,2,8H2,1H3
InChIKeyHXYKPTBTDRETGP-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.74
Rot. Bonds3

About N-(quinoxalin-6-ylmethyl)ethanamine

N-(quinoxalin-6-ylmethyl)ethanamine (PubChem CID 62848680) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(quinoxalin-6-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(quinoxalin-6-ylmethyl)ethanamine
PubChem CID62848680
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(quinoxalin-6-ylmethyl)ethanamine
SMILESCCNCc1ccc2nccnc2c1
InChIInChI=1S/C11H13N3/c1-2-12-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-7,12H,2,8H2,1H3
InChIKeyHXYKPTBTDRETGP-UHFFFAOYSA-N
XLogP1.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinoxalin-6-ylmethyl)propanamide
CID 110672190
N-[(3-methylphenyl)methyl]-1-quinoxalin-6-ylmethanamine
CID 46344501
N-(2H-benzotriazol-5-ylmethyl)ethanamine
CID 63322120
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 45106893
1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 46344511
2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
CID 110672201
methyl 4-oxo-4-(quinoxalin-6-ylmethylamino)butanoate
CID 110672198
4-(ethylaminomethyl)-2-methylbenzaldehyde
CID 166723974
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]ethanamine
CID 82493458
N-[[4-(chloromethyl)phenyl]methyl]ethanamine
CID 107232930

Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-6-ylmethyl)ethanamine?
The IUPAC name of N-(quinoxalin-6-ylmethyl)ethanamine (CID 62848680) is N-(quinoxalin-6-ylmethyl)ethanamine.
What is the SMILES notation for N-(quinoxalin-6-ylmethyl)ethanamine?
The canonical SMILES for N-(quinoxalin-6-ylmethyl)ethanamine is CCNCc1ccc2nccnc2c1.
What is the InChIKey of N-(quinoxalin-6-ylmethyl)ethanamine?
The InChIKey is HXYKPTBTDRETGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-12-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-7,12H,2,8H2,1H3.
What are the key properties of N-(quinoxalin-6-ylmethyl)ethanamine?
N-(quinoxalin-6-ylmethyl)ethanamine has a molecular weight of 187.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-6-ylmethyl)ethanamine is sourced from PubChem (CID 62848680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).