2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine

C14H17N3O — CID 62822753

IUPAC2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(NCC3CCOC3)ccc2c1
InChIInChI=1S/C14H17N3O/c15-12-2-3-13-11(7-12)1-4-14(17-13)16-8-10-5-6-18-9-10/h1-4,7,10H,5-6,8-9,15H2,(H,16,17)
InChIKeyKJSKLEGTOWUTKX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.27
Rot. Bonds3

About 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine

2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine (PubChem CID 62822753) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine
PubChem CID62822753
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(NCC3CCOC3)ccc2c1
InChIInChI=1S/C14H17N3O/c15-12-2-3-13-11(7-12)1-4-14(17-13)16-8-10-5-6-18-9-10/h1-4,7,10H,5-6,8-9,15H2,(H,16,17)
InChIKeyKJSKLEGTOWUTKX-UHFFFAOYSA-N
XLogP2.27
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(oxolan-2-ylmethyl)quinoline-2,6-diamine
CID 43383029
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
2-[[(6-aminoquinolin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64929609
6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 62824708
2-N-(thiolan-2-ylmethyl)quinoline-2,6-diamine
CID 80584933
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
2-N-(oxolan-3-ylmethyl)pyrazine-2,6-diamine
CID 78988857
4-N-(oxolan-3-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 115915559
2-[(6-aminoquinolin-2-yl)amino]ethanol
CID 43450889
2-N-cyclobutylquinoline-2,6-diamine
CID 62414145
5-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,4-diamine
CID 83265537

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine (CID 62822753) is 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine is Nc1ccc2nc(NCC3CCOC3)ccc2c1.
What is the InChIKey of 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine?
The InChIKey is KJSKLEGTOWUTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-12-2-3-13-11(7-12)1-4-14(17-13)16-8-10-5-6-18-9-10/h1-4,7,10H,5-6,8-9,15H2,(H,16,17).
What are the key properties of 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine?
2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-3-ylmethyl)quinoline-2,6-diamine is sourced from PubChem (CID 62822753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).