N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide

C15H33N3O2 — CID 106115549

IUPACN'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide
SMILESCCCC(CCO)CNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H33N3O2/c1-4-7-13(8-11-19)12-17-10-6-5-9-15(2,3)14(16)18-20/h13,17,19-20H,4-12H2,1-3H3,(H2,16,18)
InChIKeyAUIHXVRVXWMCKH-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.32
Rot. Bonds12

About N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide

N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide (PubChem CID 106115549) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide
PubChem CID106115549
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC NameN'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide
SMILESCCCC(CCO)CNCCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H33N3O2/c1-4-7-13(8-11-19)12-17-10-6-5-9-15(2,3)14(16)18-20/h13,17,19-20H,4-12H2,1-3H3,(H2,16,18)
InChIKeyAUIHXVRVXWMCKH-UHFFFAOYSA-N
XLogP2.32
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.32
H-Bond Donors ≤ 54
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-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide?
The IUPAC name of N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide (CID 106115549) is N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide.
What is the SMILES notation for N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide?
The canonical SMILES for N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide is CCCC(CCO)CNCCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide?
The InChIKey is AUIHXVRVXWMCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-4-7-13(8-11-19)12-17-10-6-5-9-15(2,3)14(16)18-20/h13,17,19-20H,4-12H2,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide?
N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide has a molecular weight of 287.45 g/mol, XLogP of 2.32, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-[2-(2-hydroxyethyl)pentylamino]-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106115549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).