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

C13H20N4 — CID 116512846

IUPACN-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESCCC/N=C(\NN)N1CCc2ccccc2C1
InChIInChI=1S/C13H20N4/c1-2-8-15-13(16-14)17-9-7-11-5-3-4-6-12(11)10-17/h3-6H,2,7-10,14H2,1H3,(H,15,16)
InChIKeyWKWMUXFZKWOVQT-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.27
Rot. Bonds2

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

N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 116512846) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID116512846
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESCCC/N=C(\NN)N1CCc2ccccc2C1
InChIInChI=1S/C13H20N4/c1-2-8-15-13(16-14)17-9-7-11-5-3-4-6-12(11)10-17/h3-6H,2,7-10,14H2,1H3,(H,15,16)
InChIKeyWKWMUXFZKWOVQT-UHFFFAOYSA-N
XLogP1.27
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-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-6,7-dimethoxy-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 116512912
N-amino-N'-butyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboximidamide
CID 116515128
N'-ethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110911923
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946687
3-[[3,4-dihydro-1H-isoquinolin-2-yl(ethylamino)methylidene]amino]-N-propylpropanamide
CID 110947716
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-2-propylguanidine;hydroiodide
CID 111811089
N-ethyl-N'-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946829
N-ethyl-N'-[4-(1,2,4-triazol-4-yl)butyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111492302
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946983
N'-(6-aminohexyl)-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 134091999
N-ethyl-N'-[4-(2-methoxyethoxy)butyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947155
N-ethyl-N'-(2-pyrazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947645

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 116512846) is N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide is CCC/N=C(\NN)N1CCc2ccccc2C1.
What is the InChIKey of N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is WKWMUXFZKWOVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-8-15-13(16-14)17-9-7-11-5-3-4-6-12(11)10-17/h3-6H,2,7-10,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 232.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-propyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 116512846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).