N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide

C12H23N3 — CID 109443223

IUPACN,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
SMILESC/N=C(\N(C)C)N1CC2CCCCC2C1
InChIInChI=1S/C12H23N3/c1-13-12(14(2)3)15-8-10-6-4-5-7-11(10)9-15/h10-11H,4-9H2,1-3H3/b13-12+
InChIKeyZJNUUHDKOWXYPM-OUKQBFOZSA-N
MW209.34 g/mol
LogP1.66
Rot. Bonds

About N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide

N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide (PubChem CID 109443223) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide.

Molecular Properties

Compound NameN,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
PubChem CID109443223
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
SMILESC/N=C(\N(C)C)N1CC2CCCCC2C1
InChIInChI=1S/C12H23N3/c1-13-12(14(2)3)15-8-10-6-4-5-7-11(10)9-15/h10-11H,4-9H2,1-3H3/b13-12+
InChIKeyZJNUUHDKOWXYPM-OUKQBFOZSA-N
XLogP1.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,N'-trimethyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734224
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442474
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109443286
2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-cyclopropyl-N-methyl-2-oxoacetamide
CID 128705673
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
N'-methyl-N-(4-methylpentyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442926
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
2-[[1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043005
N'-methyl-N-(4-methylsulfanylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442815
N-[2-[[C-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 109441693
N-[[3-(dimethylamino)phenyl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441610

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide?
The IUPAC name of N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide (CID 109443223) is N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide.
What is the SMILES notation for N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide?
The canonical SMILES for N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide is C/N=C(\N(C)C)N1CC2CCCCC2C1.
What is the InChIKey of N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide?
The InChIKey is ZJNUUHDKOWXYPM-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23N3/c1-13-12(14(2)3)15-8-10-6-4-5-7-11(10)9-15/h10-11H,4-9H2,1-3H3/b13-12+.
What are the key properties of N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide?
N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide has a molecular weight of 209.34 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide is sourced from PubChem (CID 109443223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).