N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C15H24N4O — CID 76916593

IUPACN'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCCCCN(C)c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H24N4O/c1-3-4-5-9-19(2)15-12(14(16)18-20)10-11-7-6-8-13(11)17-15/h10,20H,3-9H2,1-2H3,(H2,16,18)
InChIKeyQLSXBVQGOYDYJT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds6

About N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 76916593) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID76916593
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCCCCN(C)c1nc2c(cc1C(N)=NO)CCC2
InChIInChI=1S/C15H24N4O/c1-3-4-5-9-19(2)15-12(14(16)18-20)10-11-7-6-8-13(11)17-15/h10,20H,3-9H2,1-2H3,(H2,16,18)
InChIKeyQLSXBVQGOYDYJT-UHFFFAOYSA-N
XLogP2.29
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 76916593) is N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCCCCN(C)c1nc2c(cc1C(N)=NO)CCC2.
What is the InChIKey of N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is QLSXBVQGOYDYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-5-9-19(2)15-12(14(16)18-20)10-11-7-6-8-13(11)17-15/h10,20H,3-9H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 276.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 76916593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).