cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine

C17H24N2O2 — CID 63178373

IUPACcyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C17H24N2O2/c1-20-15-9-13-7-8-19(11-14(13)10-16(15)21-2)17(18)12-5-3-4-6-12/h9-10,12,18H,3-8,11H2,1-2H3/b18-17+
InChIKeySKJBTVNPLXIJIK-ISLYRVAYSA-N
MW288.39 g/mol
LogP3.23
Rot. Bonds3

About cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine

cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine (PubChem CID 63178373) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine.

Molecular Properties

Compound Namecyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine
PubChem CID63178373
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namecyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine
SMILES[H]/N=C(\C1CCCC1)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C17H24N2O2/c1-20-15-9-13-7-8-19(11-14(13)10-16(15)21-2)17(18)12-5-3-4-6-12/h9-10,12,18H,3-8,11H2,1-2H3/b18-17+
InChIKeySKJBTVNPLXIJIK-ISLYRVAYSA-N
XLogP3.23
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 83031271
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 132590660
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712640
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119679753
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 62360444
1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166411334
1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 55359834
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylpropan-1-one
CID 57445005
1-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 55605700
N'-amino-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 77053836
N-cyclopentyl-N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]acetamide
CID 113116381

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine?
The IUPAC name of cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine (CID 63178373) is cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine.
What is the SMILES notation for cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine?
The canonical SMILES for cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine is [H]/N=C(\C1CCCC1)N1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine?
The InChIKey is SKJBTVNPLXIJIK-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-20-15-9-13-7-8-19(11-14(13)10-16(15)21-2)17(18)12-5-3-4-6-12/h9-10,12,18H,3-8,11H2,1-2H3/b18-17+.
What are the key properties of cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine?
cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine has a molecular weight of 288.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine is sourced from PubChem (CID 63178373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).