N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide

C13H19N3O — CID 83015584

IUPACN',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide
SMILESCC1Nc2ccccc2CC1C(=O)NN(C)C
InChIInChI=1S/C13H19N3O/c1-9-11(13(17)15-16(2)3)8-10-6-4-5-7-12(10)14-9/h4-7,9,11,14H,8H2,1-3H3,(H,15,17)
InChIKeyJTYCTBMWEUUTOS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.25
Rot. Bonds2

About N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide

N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide (PubChem CID 83015584) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide.

Molecular Properties

Compound NameN',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide
PubChem CID83015584
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide
SMILESCC1Nc2ccccc2CC1C(=O)NN(C)C
InChIInChI=1S/C13H19N3O/c1-9-11(13(17)15-16(2)3)8-10-6-4-5-7-12(10)14-9/h4-7,9,11,14H,8H2,1-3H3,(H,15,17)
InChIKeyJTYCTBMWEUUTOS-UHFFFAOYSA-N
XLogP1.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)ethanone
CID 15269713
N-(2,2-dimethylbutyl)-2-methyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 103461945
2-methyl-N-[(3-methylcyclopentyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107413528
2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106026291
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
(3R)-N',N'-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
CID 83021398
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
N-(2,3-dihydro-1H-indol-2-yl)acetamide
CID 23387653
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2-methyl-1,2,3,4-tetrahydroquinolin-3-yl)methanol
CID 123241358
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-4-carbohydrazide
CID 83022374

Frequently Asked Questions

What is the IUPAC name of N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide?
The IUPAC name of N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide (CID 83015584) is N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide.
What is the SMILES notation for N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide?
The canonical SMILES for N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide is CC1Nc2ccccc2CC1C(=O)NN(C)C.
What is the InChIKey of N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide?
The InChIKey is JTYCTBMWEUUTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-11(13(17)15-16(2)3)8-10-6-4-5-7-12(10)14-9/h4-7,9,11,14H,8H2,1-3H3,(H,15,17).
What are the key properties of N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide?
N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide has a molecular weight of 233.31 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2-trimethyl-1,2,3,4-tetrahydroquinoline-3-carbohydrazide is sourced from PubChem (CID 83015584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).