(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine

C14H17N3 — CID 105220668

IUPAC(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
SMILESC=C(C)CC(NN)c1nccc2ccccc12
InChIInChI=1S/C14H17N3/c1-10(2)9-13(17-15)14-12-6-4-3-5-11(12)7-8-16-14/h3-8,13,17H,1,9,15H2,2H3
InChIKeyUJKTVNICNDRSOZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.71
Rot. Bonds4

About (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine

(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine (PubChem CID 105220668) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine.

Molecular Properties

Compound Name(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
PubChem CID105220668
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
SMILESC=C(C)CC(NN)c1nccc2ccccc12
InChIInChI=1S/C14H17N3/c1-10(2)9-13(17-15)14-12-6-4-3-5-11(12)7-8-16-14/h3-8,13,17H,1,9,15H2,2H3
InChIKeyUJKTVNICNDRSOZ-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-isoquinolin-1-ylpentylhydrazine
CID 105220521
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759
1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474755
(2-cyclobutyl-1-isoquinolin-1-ylethyl)hydrazine
CID 105220628
(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine
CID 114190757
(3-methyl-1-phenylbut-3-enyl)hydrazine
CID 105199371
3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine
CID 105220678
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
isoquinolin-1-ylmethanediol
CID 57261748
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415

Frequently Asked Questions

What is the IUPAC name of (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine?
The IUPAC name of (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine (CID 105220668) is (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine.
What is the SMILES notation for (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine?
The canonical SMILES for (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine is C=C(C)CC(NN)c1nccc2ccccc12.
What is the InChIKey of (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine?
The InChIKey is UJKTVNICNDRSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(2)9-13(17-15)14-12-6-4-3-5-11(12)7-8-16-14/h3-8,13,17H,1,9,15H2,2H3.
What are the key properties of (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine?
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine has a molecular weight of 227.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine is sourced from PubChem (CID 105220668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).