1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine

C18H19N3 — CID 175485819

IUPAC1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine
SMILESCCc1ccccc1NNCc1cccc2cnccc12
InChIInChI=1S/C18H19N3/c1-2-14-6-3-4-9-18(14)21-20-13-16-8-5-7-15-12-19-11-10-17(15)16/h3-12,20-21H,2,13H2,1H3
InChIKeyDBTHYCJIGWKAHH-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine

1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine (PubChem CID 175485819) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine
PubChem CID175485819
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine
SMILESCCc1ccccc1NNCc1cccc2cnccc12
InChIInChI=1S/C18H19N3/c1-2-14-6-3-4-9-18(14)21-20-13-16-8-5-7-15-12-19-11-10-17(15)16/h3-12,20-21H,2,13H2,1H3
InChIKeyDBTHYCJIGWKAHH-UHFFFAOYSA-N
XLogP3.91
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
ethyl 2-(isoquinolin-5-ylmethylamino)acetate
CID 62824255
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
4-chloro-N-(isoquinolin-5-ylmethyl)-2-methylaniline
CID 62823888
1-isoquinolin-5-yl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 62823191
1-(isoquinolin-5-ylmethylamino)pentan-2-ol
CID 113381728
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine?
The IUPAC name of 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine (CID 175485819) is 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine.
What is the SMILES notation for 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine?
The canonical SMILES for 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine is CCc1ccccc1NNCc1cccc2cnccc12.
What is the InChIKey of 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine?
The InChIKey is DBTHYCJIGWKAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-14-6-3-4-9-18(14)21-20-13-16-8-5-7-15-12-19-11-10-17(15)16/h3-12,20-21H,2,13H2,1H3.
What are the key properties of 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine?
1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine has a molecular weight of 277.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-2-(isoquinolin-5-ylmethyl)hydrazine is sourced from PubChem (CID 175485819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).