[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine

C17H23N3 — CID 105233617

IUPAC[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESCCC1CCC(C(NN)c2cccc3cnccc23)C1
InChIInChI=1S/C17H23N3/c1-2-12-6-7-13(10-12)17(20-18)16-5-3-4-14-11-19-9-8-15(14)16/h3-5,8-9,11-13,17,20H,2,6-7,10,18H2,1H3
InChIKeyCYLXGEDJDQHYGG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.57
Rot. Bonds4

About [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine

[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine (PubChem CID 105233617) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
PubChem CID105233617
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine
SMILESCCC1CCC(C(NN)c2cccc3cnccc23)C1
InChIInChI=1S/C17H23N3/c1-2-12-6-7-13(10-12)17(20-18)16-5-3-4-14-11-19-9-8-15(14)16/h3-5,8-9,11-13,17,20H,2,6-7,10,18H2,1H3
InChIKeyCYLXGEDJDQHYGG-UHFFFAOYSA-N
XLogP3.57
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.57
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

[(3-ethylcyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105233566
[isoquinolin-5-yl(oxolan-3-yl)methyl]hydrazine
CID 105229453
1-(3-ethylcyclopentyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 65411220
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186
(3-ethylcyclopentyl)-isoquinolin-4-ylmethanamine
CID 65411208
[isoquinolin-5-yl(oxolan-2-yl)methyl]hydrazine
CID 105229147
(1-isoquinolin-5-yl-2-methylbutyl)hydrazine
CID 105219729
1-(3-bicyclo[3.1.0]hexanyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115852970
3-[(3-ethylcyclohexyl)-hydrazinylmethyl]pyridin-2-amine
CID 105232901
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
[(3-ethylcyclopentyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103435992
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437

Frequently Asked Questions

What is the IUPAC name of [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine?
The IUPAC name of [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine (CID 105233617) is [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine?
The canonical SMILES for [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine is CCC1CCC(C(NN)c2cccc3cnccc23)C1.
What is the InChIKey of [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine?
The InChIKey is CYLXGEDJDQHYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-12-6-7-13(10-12)17(20-18)16-5-3-4-14-11-19-9-8-15(14)16/h3-5,8-9,11-13,17,20H,2,6-7,10,18H2,1H3.
What are the key properties of [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine?
[(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine has a molecular weight of 269.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethylcyclopentyl)-isoquinolin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105233617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).