(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine

C17H21N3 — CID 114190757

IUPAC(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine
SMILESCC(C)(C)C#CCC(NN)c1nccc2ccccc12
InChIInChI=1S/C17H21N3/c1-17(2,3)11-6-9-15(20-18)16-14-8-5-4-7-13(14)10-12-19-16/h4-5,7-8,10,12,15,20H,9,18H2,1-3H3
InChIKeyBKMHWFZSEWTFOA-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.18
Rot. Bonds3

About (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine

(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine (PubChem CID 114190757) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine.

Molecular Properties

Compound Name(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine
PubChem CID114190757
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine
SMILESCC(C)(C)C#CCC(NN)c1nccc2ccccc12
InChIInChI=1S/C17H21N3/c1-17(2,3)11-6-9-15(20-18)16-14-8-5-4-7-13(14)10-12-19-16/h4-5,7-8,10,12,15,20H,9,18H2,1-3H3
InChIKeyBKMHWFZSEWTFOA-UHFFFAOYSA-N
XLogP3.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.18
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-isoquinolin-1-ylpentylhydrazine
CID 105220521
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668
N-ethyl-1-isoquinolin-1-ylpent-3-yn-1-amine
CID 63950687
(2-cyclobutyl-1-isoquinolin-1-ylethyl)hydrazine
CID 105220628
[1-(2-ethoxyphenyl)-5,5-dimethylhex-3-ynyl]hydrazine
CID 114190770
(5,5-dimethyl-1-quinoxalin-5-ylhex-3-ynyl)hydrazine
CID 114190781
3-(2-hydrazinyl-2-isoquinolin-1-ylethyl)pyridin-2-amine
CID 105220678
(1S)-2-(tert-butylamino)-1-isoquinolin-1-ylethanol
CID 155154320
1-isoquinolin-1-yl-N-propylpropan-1-amine
CID 63948250
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
1-isoquinolin-1-yl-4-methoxy-4-methylpentan-1-amine
CID 103031360
2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63948036

Frequently Asked Questions

What is the IUPAC name of (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine?
The IUPAC name of (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine (CID 114190757) is (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine.
What is the SMILES notation for (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine?
The canonical SMILES for (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine is CC(C)(C)C#CCC(NN)c1nccc2ccccc12.
What is the InChIKey of (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine?
The InChIKey is BKMHWFZSEWTFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-17(2,3)11-6-9-15(20-18)16-14-8-5-4-7-13(14)10-12-19-16/h4-5,7-8,10,12,15,20H,9,18H2,1-3H3.
What are the key properties of (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine?
(1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine has a molecular weight of 267.38 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isoquinolin-1-yl-5,5-dimethylhex-3-ynyl)hydrazine is sourced from PubChem (CID 114190757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).