(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine

C13H17N3O — CID 105247037

IUPAC(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
SMILESCOC(C)C(NN)c1cccc2cnccc12
InChIInChI=1S/C13H17N3O/c1-9(17-2)13(16-14)12-5-3-4-10-8-15-7-6-11(10)12/h3-9,13,16H,14H2,1-2H3
InChIKeyRSEOZPFGSPJICI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.77
Rot. Bonds4

About (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine

(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine (PubChem CID 105247037) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine.

Molecular Properties

Compound Name(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
PubChem CID105247037
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
SMILESCOC(C)C(NN)c1cccc2cnccc12
InChIInChI=1S/C13H17N3O/c1-9(17-2)13(16-14)12-5-3-4-10-8-15-7-6-11(10)12/h3-9,13,16H,14H2,1-2H3
InChIKeyRSEOZPFGSPJICI-UHFFFAOYSA-N
XLogP1.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
(2-methoxy-1-pyridin-3-ylpropyl)hydrazine
CID 105247066
1-isoquinolin-4-yl-2-methoxy-N-methylpropan-1-amine
CID 79616343
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
3-(1-hydrazinyl-2-methoxypropyl)pyridin-2-amine
CID 105246942
[1-(1-benzothiophen-7-yl)-2-methoxypropyl]hydrazine
CID 105246859

Frequently Asked Questions

What is the IUPAC name of (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine?
The IUPAC name of (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine (CID 105247037) is (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine.
What is the SMILES notation for (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine?
The canonical SMILES for (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine is COC(C)C(NN)c1cccc2cnccc12.
What is the InChIKey of (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine?
The InChIKey is RSEOZPFGSPJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(17-2)13(16-14)12-5-3-4-10-8-15-7-6-11(10)12/h3-9,13,16H,14H2,1-2H3.
What are the key properties of (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine?
(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine has a molecular weight of 231.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoquinolin-5-yl-2-methoxypropyl)hydrazine is sourced from PubChem (CID 105247037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).