(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine

C17H25N3O — CID 103140666

IUPAC(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine
SMILESCCOC(CC)(CC)C(NN)c1cccc2ccncc12
InChIInChI=1S/C17H25N3O/c1-4-17(5-2,21-6-3)16(20-18)14-9-7-8-13-10-11-19-12-15(13)14/h7-12,16,20H,4-6,18H2,1-3H3
InChIKeyZXVBNDNWOWLSBY-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.33
Rot. Bonds7

About (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine

(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine (PubChem CID 103140666) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine.

Molecular Properties

Compound Name(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine
PubChem CID103140666
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine
SMILESCCOC(CC)(CC)C(NN)c1cccc2ccncc12
InChIInChI=1S/C17H25N3O/c1-4-17(5-2,21-6-3)16(20-18)14-9-7-8-13-10-11-19-12-15(13)14/h7-12,16,20H,4-6,18H2,1-3H3
InChIKeyZXVBNDNWOWLSBY-UHFFFAOYSA-N
XLogP3.33
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.33
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

2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
N,N-diethyl-1-hydrazinyl-1-isoquinolin-8-yl-2-methylpropan-2-amine
CID 103140329
2-ethoxy-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143828
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126
(3-ethoxy-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141619
2-ethoxy-2-ethyl-N-methyl-1-quinolin-8-ylbutan-1-amine
CID 116759944
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
(2-ethoxy-2-ethyl-1-quinolin-3-ylbutyl)hydrazine
CID 105275103
[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140603
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
(3-cyclohexyl-1-isoquinolin-8-ylpropyl)hydrazine
CID 103141698
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine?
The IUPAC name of (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine (CID 103140666) is (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine.
What is the SMILES notation for (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine?
The canonical SMILES for (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine is CCOC(CC)(CC)C(NN)c1cccc2ccncc12.
What is the InChIKey of (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine?
The InChIKey is ZXVBNDNWOWLSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-17(5-2,21-6-3)16(20-18)14-9-7-8-13-10-11-19-12-15(13)14/h7-12,16,20H,4-6,18H2,1-3H3.
What are the key properties of (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine?
(2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine has a molecular weight of 287.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-ethyl-1-isoquinolin-8-ylbutyl)hydrazine is sourced from PubChem (CID 103140666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).