6-N-prop-2-enylquinoline-5,6-diamine

C12H13N3 — CID 62500024

IUPAC6-N-prop-2-enylquinoline-5,6-diamine
SMILESC=CCNc1ccc2ncccc2c1N
InChIInChI=1S/C12H13N3/c1-2-7-14-11-6-5-10-9(12(11)13)4-3-8-15-10/h2-6,8,14H,1,7,13H2
InChIKeyWPGQNWASIPVXSB-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.41
Rot. Bonds3

About 6-N-prop-2-enylquinoline-5,6-diamine

6-N-prop-2-enylquinoline-5,6-diamine (PubChem CID 62500024) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 6-N-prop-2-enylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-prop-2-enylquinoline-5,6-diamine
PubChem CID62500024
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name6-N-prop-2-enylquinoline-5,6-diamine
SMILESC=CCNc1ccc2ncccc2c1N
InChIInChI=1S/C12H13N3/c1-2-7-14-11-6-5-10-9(12(11)13)4-3-8-15-10/h2-6,8,14H,1,7,13H2
InChIKeyWPGQNWASIPVXSB-UHFFFAOYSA-N
XLogP2.41
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-ethylquinoline-5,6-diamine
CID 43809532
6-N-(3,3-dimethylbutyl)quinoline-5,6-diamine
CID 89050951
3-N-prop-2-enylpyridine-2,3-diamine
CID 104540292
6-N-[(3-methyl-2-pyridinyl)methyl]quinoline-5,6-diamine
CID 63305883
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
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
3-[(5-aminoquinolin-6-yl)amino]-2-methylpropan-1-ol
CID 65034635
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645
2-[(5-aminoquinolin-6-yl)amino]ethyl carbamate
CID 83202979
2-[2-[(5-aminoquinolin-6-yl)amino]ethoxy]ethanol
CID 62499591

Frequently Asked Questions

What is the IUPAC name of 6-N-prop-2-enylquinoline-5,6-diamine?
The IUPAC name of 6-N-prop-2-enylquinoline-5,6-diamine (CID 62500024) is 6-N-prop-2-enylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-prop-2-enylquinoline-5,6-diamine?
The canonical SMILES for 6-N-prop-2-enylquinoline-5,6-diamine is C=CCNc1ccc2ncccc2c1N.
What is the InChIKey of 6-N-prop-2-enylquinoline-5,6-diamine?
The InChIKey is WPGQNWASIPVXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-2-7-14-11-6-5-10-9(12(11)13)4-3-8-15-10/h2-6,8,14H,1,7,13H2.
What are the key properties of 6-N-prop-2-enylquinoline-5,6-diamine?
6-N-prop-2-enylquinoline-5,6-diamine has a molecular weight of 199.26 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-prop-2-enylquinoline-5,6-diamine is sourced from PubChem (CID 62500024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).