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

C15H24N4O2 — CID 116512912

IUPACN-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESCCC/N=C(\NN)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C15H24N4O2/c1-4-6-17-15(18-16)19-7-5-11-8-13(20-2)14(21-3)9-12(11)10-19/h8-9H,4-7,10,16H2,1-3H3,(H,17,18)
InChIKeyCVWGHTPXTIIMGP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.29
Rot. Bonds4

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

N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 116512912) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID116512912
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESCCC/N=C(\NN)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C15H24N4O2/c1-4-6-17-15(18-16)19-7-5-11-8-13(20-2)14(21-3)9-12(11)10-19/h8-9H,4-7,10,16H2,1-3H3,(H,17,18)
InChIKeyCVWGHTPXTIIMGP-UHFFFAOYSA-N
XLogP1.29
TPSA72.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 116512846
N-ethyl-6,7-dimethoxy-N'-(2-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269933
N-ethyl-6,7-dimethoxy-N'-(5-methoxypentyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269719
N-ethyl-6,7-dimethoxy-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269073
N-ethyl-N'-(2-ethylsulfonylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269480
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111269570
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111268653
N'-amino-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 77053836
N'-butyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 111513839
N-ethyl-6,7-dimethoxy-N'-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269919
3-[[C-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]-N-propylpropanamide
CID 111268781
N-[2-[[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111269125

Frequently Asked Questions

What is the IUPAC name of N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 116512912) is N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide is CCC/N=C(\NN)N1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is CVWGHTPXTIIMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-6-17-15(18-16)19-7-5-11-8-13(20-2)14(21-3)9-12(11)10-19/h8-9H,4-7,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 292.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 116512912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).