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

C15H27N3 — CID 102726804

IUPAC(4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCC[C@H]2CCCC[C@H]21
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)/t12-,14-/m1/s1
InChIKeyFXSRAQAFZZOPLY-TZMCWYRMSA-N
MW249.40 g/mol
LogP2.90
Rot. Bonds1

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

(4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (PubChem CID 102726804) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.

Molecular Properties

Compound Name(4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
PubChem CID102726804
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
SMILESN/C(=N\C1CCCC1)N1CCC[C@H]2CCCC[C@H]21
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)/t12-,14-/m1/s1
InChIKeyFXSRAQAFZZOPLY-TZMCWYRMSA-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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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The IUPAC name of (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide (CID 102726804) is (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide.
What is the SMILES notation for (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The canonical SMILES for (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is N/C(=N\C1CCCC1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
The InChIKey is FXSRAQAFZZOPLY-TZMCWYRMSA-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)/t12-,14-/m1/s1.
What are the key properties of (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide?
(4aR,8aR)-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 (4aR,8aR)-N'-cyclopentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide is sourced from PubChem (CID 102726804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).