6-N-ethylquinoline-5,6-diamine

C11H13N3 — CID 43809532

IUPAC6-N-ethylquinoline-5,6-diamine
SMILESCCNc1ccc2ncccc2c1N
InChIInChI=1S/C11H13N3/c1-2-13-10-6-5-9-8(11(10)12)4-3-7-14-9/h3-7,13H,2,12H2,1H3
InChIKeyWGKVAMDURIFSKA-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.25
Rot. Bonds2

About 6-N-ethylquinoline-5,6-diamine

6-N-ethylquinoline-5,6-diamine (PubChem CID 43809532) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 6-N-ethylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-ethylquinoline-5,6-diamine
PubChem CID43809532
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name6-N-ethylquinoline-5,6-diamine
SMILESCCNc1ccc2ncccc2c1N
InChIInChI=1S/C11H13N3/c1-2-13-10-6-5-9-8(11(10)12)4-3-7-14-9/h3-7,13H,2,12H2,1H3
InChIKeyWGKVAMDURIFSKA-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
3-[[(5-aminoquinolin-6-yl)amino]methyl]pentan-3-ol
CID 65102906
6-N-[(3-ethyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 82733268
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
6-N-prop-2-enylquinoline-5,6-diamine
CID 62500024
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
6-N-[(6-methyl-3-pyridinyl)methyl]quinoline-5,6-diamine
CID 62997443
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
6-N-[(5-methylpyrazin-2-yl)methyl]quinoline-5,6-diamine
CID 62848085
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645
7-N-ethylquinoline-7,8-diamine
CID 15023104

Frequently Asked Questions

What is the IUPAC name of 6-N-ethylquinoline-5,6-diamine?
The IUPAC name of 6-N-ethylquinoline-5,6-diamine (CID 43809532) is 6-N-ethylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-ethylquinoline-5,6-diamine?
The canonical SMILES for 6-N-ethylquinoline-5,6-diamine is CCNc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-ethylquinoline-5,6-diamine?
The InChIKey is WGKVAMDURIFSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-13-10-6-5-9-8(11(10)12)4-3-7-14-9/h3-7,13H,2,12H2,1H3.
What are the key properties of 6-N-ethylquinoline-5,6-diamine?
6-N-ethylquinoline-5,6-diamine has a molecular weight of 187.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethylquinoline-5,6-diamine is sourced from PubChem (CID 43809532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).