N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide

C15H21N3O2 — CID 62360444

IUPACN'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESCOc1cc2c(cc1OC)CN(/C(N)=N/C1CC1)CC2
InChIInChI=1S/C15H21N3O2/c1-19-13-7-10-5-6-18(15(16)17-12-3-4-12)9-11(10)8-14(13)20-2/h7-8,12H,3-6,9H2,1-2H3,(H2,16,17)
InChIKeyDTIOUAMYHLLNPG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.54
Rot. Bonds3

About N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide

N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 62360444) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID62360444
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESCOc1cc2c(cc1OC)CN(/C(N)=N/C1CC1)CC2
InChIInChI=1S/C15H21N3O2/c1-19-13-7-10-5-6-18(15(16)17-12-3-4-12)9-11(10)8-14(13)20-2/h7-8,12H,3-6,9H2,1-2H3,(H2,16,17)
InChIKeyDTIOUAMYHLLNPG-UHFFFAOYSA-N
XLogP1.54
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.54
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'-amino-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 77053836
3-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 11625057
N-(diaminomethylidene)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 83031271
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
N-ethyl-6,7-dimethoxy-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269073
N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 116512912
(2-aminocyclopentyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119679759
2-(4-aminopiperidin-1-yl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 119907485
cyclopentyl-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanimine
CID 63178373
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 110689690
2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]guanidine;hydroiodide
CID 111109687
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentane-1,4-dione
CID 60639059

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 62360444) is N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide is COc1cc2c(cc1OC)CN(/C(N)=N/C1CC1)CC2.
What is the InChIKey of N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is DTIOUAMYHLLNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-13-7-10-5-6-18(15(16)17-12-3-4-12)9-11(10)8-14(13)20-2/h7-8,12H,3-6,9H2,1-2H3,(H2,16,17).
What are the key properties of N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 275.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 62360444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).