N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide

C11H21N3 — CID 62361183

IUPACN'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESC/N=C(\N)N1CCCC2CCCCC21
InChIInChI=1S/C11H21N3/c1-13-11(12)14-8-4-6-9-5-2-3-7-10(9)14/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyZVRDBOOXCJYKHW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.59
Rot. Bonds

About N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide

N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 62361183) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID62361183
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESC/N=C(\N)N1CCCC2CCCCC21
InChIInChI=1S/C11H21N3/c1-13-11(12)14-8-4-6-9-5-2-3-7-10(9)14/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyZVRDBOOXCJYKHW-UHFFFAOYSA-N
XLogP1.59
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 62361183) is N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is C/N=C(\N)N1CCCC2CCCCC21.
What is the InChIKey of N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is ZVRDBOOXCJYKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-13-11(12)14-8-4-6-9-5-2-3-7-10(9)14/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 195.31 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 62361183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).