[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine

C16H21N3O — CID 105268700

IUPAC[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine
SMILESCOC1(C(NN)c2cncc3ccccc23)CCCC1
InChIInChI=1S/C16H21N3O/c1-20-16(8-4-5-9-16)15(19-17)14-11-18-10-12-6-2-3-7-13(12)14/h2-3,6-7,10-11,15,19H,4-5,8-9,17H2,1H3
InChIKeyPDOUUDNISTZYTM-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.70
Rot. Bonds4

About [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine

[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine (PubChem CID 105268700) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine.

Molecular Properties

Compound Name[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine
PubChem CID105268700
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine
SMILESCOC1(C(NN)c2cncc3ccccc23)CCCC1
InChIInChI=1S/C16H21N3O/c1-20-16(8-4-5-9-16)15(19-17)14-11-18-10-12-6-2-3-7-13(12)14/h2-3,6-7,10-11,15,19H,4-5,8-9,17H2,1H3
InChIKeyPDOUUDNISTZYTM-UHFFFAOYSA-N
XLogP2.70
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611200
[1H-indol-3-yl-(1-methoxycyclohexyl)methyl]hydrazine
CID 112742873
[(2-fluorophenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275988
isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
CID 116755033
[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105275994
[(2,3-difluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278208
[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105306448
[isoquinolin-4-yl-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105306415
1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 103143775
[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]hydrazine
CID 105268611
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
[isoquinolin-4-yl-(2-methylcyclopropyl)methyl]hydrazine
CID 105234888

Frequently Asked Questions

What is the IUPAC name of [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine?
The IUPAC name of [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine (CID 105268700) is [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine.
What is the SMILES notation for [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine?
The canonical SMILES for [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine is COC1(C(NN)c2cncc3ccccc23)CCCC1.
What is the InChIKey of [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine?
The InChIKey is PDOUUDNISTZYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-16(8-4-5-9-16)15(19-17)14-11-18-10-12-6-2-3-7-13(12)14/h2-3,6-7,10-11,15,19H,4-5,8-9,17H2,1H3.
What are the key properties of [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine?
[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine has a molecular weight of 271.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine is sourced from PubChem (CID 105268700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).