[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine

C17H23N3 — CID 105306448

IUPAC[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
SMILESCC1(C)C(C(NN)c2cncc3ccccc23)C1(C)C
InChIInChI=1S/C17H23N3/c1-16(2)15(17(16,3)4)14(20-18)13-10-19-9-11-7-5-6-8-12(11)13/h5-10,14-15,20H,18H2,1-4H3
InChIKeyXLMGRUJXQHTRRX-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.42
Rot. Bonds3

About [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine

[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine (PubChem CID 105306448) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
PubChem CID105306448
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
SMILESCC1(C)C(C(NN)c2cncc3ccccc23)C1(C)C
InChIInChI=1S/C17H23N3/c1-16(2)15(17(16,3)4)14(20-18)13-10-19-9-11-7-5-6-8-12(11)13/h5-10,14-15,20H,18H2,1-4H3
InChIKeyXLMGRUJXQHTRRX-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.42
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

[isoquinolin-4-yl-(2-methylcyclopropyl)methyl]hydrazine
CID 105234888
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine
CID 105255789
(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
CID 105213889
(2-ethyl-1-isoquinolin-4-ylbutyl)hydrazine
CID 105306338
(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine
CID 105248975
[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268700
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
[(2,5-dimethylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306387
[isoquinolin-4-yl-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105306415
[(4-iodophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306457

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine?
The IUPAC name of [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine (CID 105306448) is [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine is CC1(C)C(C(NN)c2cncc3ccccc23)C1(C)C.
What is the InChIKey of [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine?
The InChIKey is XLMGRUJXQHTRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-16(2)15(17(16,3)4)14(20-18)13-10-19-9-11-7-5-6-8-12(11)13/h5-10,14-15,20H,18H2,1-4H3.
What are the key properties of [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine?
[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine has a molecular weight of 269.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine is sourced from PubChem (CID 105306448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).