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

C15H27N3 — CID 62364477

IUPACN'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCCC2CCCCC21
InChIInChI=1S/C15H27N3/c16-15(17-13-8-2-3-9-13)18-11-5-7-12-6-1-4-10-14(12)18/h12-14H,1-11H2,(H2,16,17)
InChIKeyFXSRAQAFZZOPLY-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.90
Rot. Bonds1

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

N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 62364477) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID62364477
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCCC2CCCCC21
InChIInChI=1S/C15H27N3/c16-15(17-13-8-2-3-9-13)18-11-5-7-12-6-1-4-10-14(12)18/h12-14H,1-11H2,(H2,16,17)
InChIKeyFXSRAQAFZZOPLY-UHFFFAOYSA-N
XLogP2.90
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.90
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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Related Compounds

CID 175274087
CID 175274087
CID 43423021
CID 43423021
CID 55064197
CID 55064197
CID 55064336
CID 55064336
CID 62361182
CID 62361182
CID 62361183
CID 62361183
CID 62361891
CID 62361891
CID 62362109
CID 62362109
CID 62362110
CID 62362110
CID 62362111
CID 62362111
CID 62362112
CID 62362112
CID 62362323
CID 62362323

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 62364477) is N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is N/C(=N\C1CCCC1)N1CCCC2CCCCC21.
What is the InChIKey of N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is FXSRAQAFZZOPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c16-15(17-13-8-2-3-9-13)18-11-5-7-12-6-1-4-10-14(12)18/h12-14H,1-11H2,(H2,16,17).
What are the key properties of N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide has a molecular weight of 249.40 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 62364477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).