[3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine

C15H21N3O — CID 55050615

IUPAC[3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine
SMILESCC(C)CCOCc1cc2ccccc2nc1NN
InChIInChI=1S/C15H21N3O/c1-11(2)7-8-19-10-13-9-12-5-3-4-6-14(12)17-15(13)18-16/h3-6,9,11H,7-8,10,16H2,1-2H3,(H,17,18)
InChIKeyOBDUWNOAXQZKJF-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.08
Rot. Bonds6

About [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine

[3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine (PubChem CID 55050615) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine.

Molecular Properties

Compound Name[3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine
PubChem CID55050615
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine
SMILESCC(C)CCOCc1cc2ccccc2nc1NN
InChIInChI=1S/C15H21N3O/c1-11(2)7-8-19-10-13-9-12-5-3-4-6-14(12)17-15(13)18-16/h3-6,9,11H,7-8,10,16H2,1-2H3,(H,17,18)
InChIKeyOBDUWNOAXQZKJF-UHFFFAOYSA-N
XLogP3.08
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(1,1,1-trifluoropropan-2-yloxymethyl)quinolin-2-yl]hydrazine
CID 66274654
[3-[(4-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
CID 62245063
N-[(2-hydrazinylquinolin-3-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62245538
N-methyl-3-(2-propoxyethoxymethyl)quinolin-2-amine
CID 63684590
[3-(thiophen-2-ylmethoxymethyl)quinolin-2-yl]hydrazine
CID 62246558
N-ethyl-3-(2-propan-2-yloxyethoxymethyl)quinolin-2-amine
CID 62193399
3-(hexoxymethyl)-N-methylquinolin-2-amine
CID 62193412
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81063048
N-[(2-hydrazinylquinolin-3-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 62245580
[3-[(3-methylcyclohexyl)oxymethyl]quinolin-2-yl]hydrazine
CID 62245639
3-(2-cyclobutylethoxymethyl)-N-methylquinolin-2-amine
CID 106205250
N-ethyl-3-(3-methoxypropoxymethyl)quinolin-2-amine
CID 62195600

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine?
The IUPAC name of [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine (CID 55050615) is [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine.
What is the SMILES notation for [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine?
The canonical SMILES for [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine is CC(C)CCOCc1cc2ccccc2nc1NN.
What is the InChIKey of [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine?
The InChIKey is OBDUWNOAXQZKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)7-8-19-10-13-9-12-5-3-4-6-14(12)17-15(13)18-16/h3-6,9,11H,7-8,10,16H2,1-2H3,(H,17,18).
What are the key properties of [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine?
[3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine has a molecular weight of 259.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutoxymethyl)quinolin-2-yl]hydrazine is sourced from PubChem (CID 55050615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).