N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide

C13H28N4O — CID 77062671

IUPACN'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide
SMILESCC(C)(CCNCCN1CCCCC1)C(N)=NO
InChIInChI=1S/C13H28N4O/c1-13(2,12(14)16-18)6-7-15-8-11-17-9-4-3-5-10-17/h15,18H,3-11H2,1-2H3,(H2,14,16)
InChIKeyNUWQIJKHKVGXDT-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.22
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide (PubChem CID 77062671) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide
PubChem CID77062671
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide
SMILESCC(C)(CCNCCN1CCCCC1)C(N)=NO
InChIInChI=1S/C13H28N4O/c1-13(2,12(14)16-18)6-7-15-8-11-17-9-4-3-5-10-17/h15,18H,3-11H2,1-2H3,(H2,14,16)
InChIKeyNUWQIJKHKVGXDT-UHFFFAOYSA-N
XLogP1.22
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.22
H-Bond Donors ≤ 53
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-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide (CID 77062671) is N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide is CC(C)(CCNCCN1CCCCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide?
The InChIKey is NUWQIJKHKVGXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-13(2,12(14)16-18)6-7-15-8-11-17-9-4-3-5-10-17/h15,18H,3-11H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide has a molecular weight of 256.39 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-4-(2-piperidin-1-ylethylamino)butanimidamide is sourced from PubChem (CID 77062671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).