1,2,3,4-tetrahydroisoquinoline-3-carboximidamide

C10H13N3 — CID 174590123

IUPAC1,2,3,4-tetrahydroisoquinoline-3-carboximidamide
SMILES[H]/N=C(\N)C1Cc2ccccc2CN1
InChIInChI=1S/C10H13N3/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9/h1-4,9,13H,5-6H2,(H3,11,12)
InChIKeyIYGSXPLWKAIRCE-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.64
Rot. Bonds1

About 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide

1,2,3,4-tetrahydroisoquinoline-3-carboximidamide (PubChem CID 174590123) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydroisoquinoline-3-carboximidamide
PubChem CID174590123
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1,2,3,4-tetrahydroisoquinoline-3-carboximidamide
SMILES[H]/N=C(\N)C1Cc2ccccc2CN1
InChIInChI=1S/C10H13N3/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9/h1-4,9,13H,5-6H2,(H3,11,12)
InChIKeyIYGSXPLWKAIRCE-UHFFFAOYSA-N
XLogP0.64
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2,3,4-tetrahydroisoquinoline-3-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

1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
1,2,3,4-tetrahydroisoquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 159156879
1-(1,2,3,4-tetrahydroisoquinolin-3-yl)prop-2-en-1-one
CID 116549750
chloro 1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 174797587
methyl (2S)-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoate
CID 93268314
methyl (2S)-2-(1,2,3,4-tetrahydroisoquinoline-3-carbonylamino)propanoate
CID 43709406
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
(3R)-N-(2-amino-2-oxoethoxy)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103955970
cyclopentyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 68917458
cyclobutyl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549860

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide?
The IUPAC name of 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide (CID 174590123) is 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide.
What is the SMILES notation for 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide?
The canonical SMILES for 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide is [H]/N=C(\N)C1Cc2ccccc2CN1.
What is the InChIKey of 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide?
The InChIKey is IYGSXPLWKAIRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-10(12)9-5-7-3-1-2-4-8(7)6-13-9/h1-4,9,13H,5-6H2,(H3,11,12).
What are the key properties of 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide?
1,2,3,4-tetrahydroisoquinoline-3-carboximidamide has a molecular weight of 175.24 g/mol, XLogP of 0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroisoquinoline-3-carboximidamide is sourced from PubChem (CID 174590123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).