N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide

C12H17N3 — CID 18709604

IUPACN,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILES[H]/N=C(\N(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C12H17N3/c1-14(2)12(13)15-8-7-10-5-3-4-6-11(10)9-15/h3-6,13H,7-9H2,1-2H3/b13-12+
InChIKeyIFKCQTHKKHKUDL-OUKQBFOZSA-N
MW203.29 g/mol
LogP1.54
Rot. Bonds

About N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide

N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 18709604) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID18709604
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILES[H]/N=C(\N(C)C)N1CCc2ccccc2C1
InChIInChI=1S/C12H17N3/c1-14(2)12(13)15-8-7-10-5-3-4-6-11(10)9-15/h3-6,13H,7-9H2,1-2H3/b13-12+
InChIKeyIFKCQTHKKHKUDL-OUKQBFOZSA-N
XLogP1.54
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
1-cyano-N,N-dimethyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-4-carboximidamide
CID 167397901
1-(1,3-dihydroisoindol-2-yl)ethanimine
CID 63173351
N-butyl-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989143
2,2-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine
CID 63181790
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-1-imine
CID 63181730
2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 30957291
methyl 1,3-dihydroisoindole-2-carboximidate
CID 119090044
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 3453763
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 5197459
N-ethyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 2886350
1-(1,3-dihydroisoindol-2-yl)propan-1-imine
CID 63176539

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 18709604) is N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide is [H]/N=C(\N(C)C)N1CCc2ccccc2C1.
What is the InChIKey of N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is IFKCQTHKKHKUDL-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H17N3/c1-14(2)12(13)15-8-7-10-5-3-4-6-11(10)9-15/h3-6,13H,7-9H2,1-2H3/b13-12+.
What are the key properties of N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 203.29 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 18709604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).