(1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide

C13H19N3O — CID 125483571

IUPAC(1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide
SMILESC[C@@H]1c2ccccc2CC(C)(C)N1C(N)=NO
InChIInChI=1S/C13H19N3O/c1-9-11-7-5-4-6-10(11)8-13(2,3)16(9)12(14)15-17/h4-7,9,17H,8H2,1-3H3,(H2,14,15)/t9-/m1/s1
InChIKeyAMBLZVYIGPAQBL-SECBINFHSA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds

About (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide

(1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide (PubChem CID 125483571) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide.

Molecular Properties

Compound Name(1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide
PubChem CID125483571
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide
SMILESC[C@@H]1c2ccccc2CC(C)(C)N1C(N)=NO
InChIInChI=1S/C13H19N3O/c1-9-11-7-5-4-6-10(11)8-13(2,3)16(9)12(14)15-17/h4-7,9,17H,8H2,1-3H3,(H2,14,15)/t9-/m1/s1
InChIKeyAMBLZVYIGPAQBL-SECBINFHSA-N
XLogP2.09
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide?
The IUPAC name of (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide (CID 125483571) is (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide.
What is the SMILES notation for (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide?
The canonical SMILES for (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide is C[C@@H]1c2ccccc2CC(C)(C)N1C(N)=NO.
What is the InChIKey of (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide?
The InChIKey is AMBLZVYIGPAQBL-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-11-7-5-4-6-10(11)8-13(2,3)16(9)12(14)15-17/h4-7,9,17H,8H2,1-3H3,(H2,14,15)/t9-/m1/s1.
What are the key properties of (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide?
(1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide has a molecular weight of 233.31 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N'-hydroxy-1,3,3-trimethyl-1,4-dihydroisoquinoline-2-carboximidamide is sourced from PubChem (CID 125483571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).