(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

C12H17N3O — CID 83021398

IUPAC(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
SMILESCN(C)NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C12H17N3O/c1-15(2)14-12(16)11-7-9-5-3-4-6-10(9)8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyCZBWLLPDNUHXDA-LLVKDONJSA-N
MW219.29 g/mol
LogP0.29
Rot. Bonds2

About (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide (PubChem CID 83021398) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
PubChem CID83021398
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
SMILESCN(C)NC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C12H17N3O/c1-15(2)14-12(16)11-7-9-5-3-4-6-10(9)8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyCZBWLLPDNUHXDA-LLVKDONJSA-N
XLogP0.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide with MolForge

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Related Compounds

(3S)-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40555754
(3S)-N-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103287323
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 42948597
N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 82945792
N-[2-(dimethylamino)-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61250382
(3R)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106148540
(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896465
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 65038594
N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103796884
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119837640

Frequently Asked Questions

What is the IUPAC name of (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide?
The IUPAC name of (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide (CID 83021398) is (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide.
What is the SMILES notation for (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide?
The canonical SMILES for (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide is CN(C)NC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide?
The InChIKey is CZBWLLPDNUHXDA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15(2)14-12(16)11-7-9-5-3-4-6-10(9)8-13-11/h3-6,11,13H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide?
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide has a molecular weight of 219.29 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide is sourced from PubChem (CID 83021398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).