N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine

C11H14N4 — CID 104614230

IUPACN'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1cccc2nccnc12
InChIInChI=1S/C11H14N4/c12-4-5-13-8-9-2-1-3-10-11(9)15-7-6-14-10/h1-3,6-7,13H,4-5,8,12H2
InChIKeyIHDPKCQZIZIARZ-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.68
Rot. Bonds4

About N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine

N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine (PubChem CID 104614230) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
PubChem CID104614230
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
SMILESNCCNCc1cccc2nccnc12
InChIInChI=1S/C11H14N4/c12-4-5-13-8-9-2-1-3-10-11(9)15-7-6-14-10/h1-3,6-7,13H,4-5,8,12H2
InChIKeyIHDPKCQZIZIARZ-UHFFFAOYSA-N
XLogP0.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
CID 104614269
3-pyrrolidin-1-yl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614273
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808
N-(quinoxalin-5-ylmethyl)cyclopentanamine
CID 104614218
N-(quinoxalin-5-ylmethyl)butan-2-amine
CID 104614226
N-(quinoxalin-5-ylmethyl)cycloheptanamine
CID 104614220
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
2-(quinoxalin-5-ylmethylamino)propan-1-ol
CID 104614241
N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
CID 170865869
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793

Frequently Asked Questions

What is the IUPAC name of N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine (CID 104614230) is N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine is NCCNCc1cccc2nccnc12.
What is the InChIKey of N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is IHDPKCQZIZIARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-4-5-13-8-9-2-1-3-10-11(9)15-7-6-14-10/h1-3,6-7,13H,4-5,8,12H2.
What are the key properties of N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine?
N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 202.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 104614230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).