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

C14H27N3 — CID 62362553

IUPACN'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCCC2CCCCC21
InChIInChI=1S/C14H27N3/c1-11(2)10-16-14(15)17-9-5-7-12-6-3-4-8-13(12)17/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyXFNQVTMAHXXSJS-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.61
Rot. Bonds2

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

N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 62362553) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID62362553
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESCC(C)C/N=C(\N)N1CCCC2CCCCC21
InChIInChI=1S/C14H27N3/c1-11(2)10-16-14(15)17-9-5-7-12-6-3-4-8-13(12)17/h11-13H,3-10H2,1-2H3,(H2,15,16)
InChIKeyXFNQVTMAHXXSJS-UHFFFAOYSA-N
XLogP2.61
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.61
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'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 62362553) is N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is CC(C)C/N=C(\N)N1CCCC2CCCCC21.
What is the InChIKey of N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is XFNQVTMAHXXSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)10-16-14(15)17-9-5-7-12-6-3-4-8-13(12)17/h11-13H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 237.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 62362553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).