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

C14H19N3 — CID 105219729

IUPAC(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
SMILESCCC(C)C(NN)c1cccc2cnccc12
InChIInChI=1S/C14H19N3/c1-3-10(2)14(17-15)13-6-4-5-11-9-16-8-7-12(11)13/h4-10,14,17H,3,15H2,1-2H3
InChIKeyMHCWAHGMUFZJDN-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.79
Rot. Bonds4

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

(1-isoquinolin-5-yl-2-methylbutyl)hydrazine (PubChem CID 105219729) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1-isoquinolin-5-yl-2-methylbutyl)hydrazine.

Molecular Properties

Compound Name(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
PubChem CID105219729
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
SMILESCCC(C)C(NN)c1cccc2cnccc12
InChIInChI=1S/C14H19N3/c1-3-10(2)14(17-15)13-6-4-5-11-9-16-8-7-12(11)13/h4-10,14,17H,3,15H2,1-2H3
InChIKeyMHCWAHGMUFZJDN-UHFFFAOYSA-N
XLogP2.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-N-propylbutan-1-amine
CID 55229984
(1-isoquinolin-5-yl-2-methoxypropyl)hydrazine
CID 105247037
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126
[isoquinolin-5-yl-(2-methoxyphenyl)methyl]hydrazine
CID 105191223
(1-isoquinolin-5-yl-2-methylsulfanylethyl)hydrazine
CID 105213991
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105233617
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
1-isoquinolin-5-yl-2-methoxypropan-1-amine
CID 79617511
(2-ethyl-1-isoquinolin-4-ylbutyl)hydrazine
CID 105306338

Frequently Asked Questions

What is the IUPAC name of (1-isoquinolin-5-yl-2-methylbutyl)hydrazine?
The IUPAC name of (1-isoquinolin-5-yl-2-methylbutyl)hydrazine (CID 105219729) is (1-isoquinolin-5-yl-2-methylbutyl)hydrazine.
What is the SMILES notation for (1-isoquinolin-5-yl-2-methylbutyl)hydrazine?
The canonical SMILES for (1-isoquinolin-5-yl-2-methylbutyl)hydrazine is CCC(C)C(NN)c1cccc2cnccc12.
What is the InChIKey of (1-isoquinolin-5-yl-2-methylbutyl)hydrazine?
The InChIKey is MHCWAHGMUFZJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-10(2)14(17-15)13-6-4-5-11-9-16-8-7-12(11)13/h4-10,14,17H,3,15H2,1-2H3.
What are the key properties of (1-isoquinolin-5-yl-2-methylbutyl)hydrazine?
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine has a molecular weight of 229.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoquinolin-5-yl-2-methylbutyl)hydrazine is sourced from PubChem (CID 105219729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).