2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide

C15H21N3O2 — CID 76917027

IUPAC2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1OC1CCCC1)CCCC2
InChIInChI=1S/C15H21N3O2/c16-14(18-19)12-9-10-5-1-4-8-13(10)17-15(12)20-11-6-2-3-7-11/h9,11,19H,1-8H2,(H2,16,18)
InChIKeyPAWFOSXFKDWPRM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds3

About 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide

2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide (PubChem CID 76917027) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
PubChem CID76917027
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
SMILESNC(=NO)c1cc2c(nc1OC1CCCC1)CCCC2
InChIInChI=1S/C15H21N3O2/c16-14(18-19)12-9-10-5-1-4-8-13(10)17-15(12)20-11-6-2-3-7-11/h9,11,19H,1-8H2,(H2,16,18)
InChIKeyPAWFOSXFKDWPRM-UHFFFAOYSA-N
XLogP2.38
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The IUPAC name of 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide (CID 76917027) is 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide.
What is the SMILES notation for 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The canonical SMILES for 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide is NC(=NO)c1cc2c(nc1OC1CCCC1)CCCC2.
What is the InChIKey of 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
The InChIKey is PAWFOSXFKDWPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-14(18-19)12-9-10-5-1-4-8-13(10)17-15(12)20-11-6-2-3-7-11/h9,11,19H,1-8H2,(H2,16,18).
What are the key properties of 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide?
2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide has a molecular weight of 275.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide is sourced from PubChem (CID 76917027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).