N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide

C11H23N3O2 — CID 77061809

IUPACN'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide
SMILESCC(C)(CCNCC1CCOC1)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-11(2,10(12)14-15)4-5-13-7-9-3-6-16-8-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyUXQIVOMBFOTLTL-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.78
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide

N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide (PubChem CID 77061809) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide
PubChem CID77061809
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide
SMILESCC(C)(CCNCC1CCOC1)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-11(2,10(12)14-15)4-5-13-7-9-3-6-16-8-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyUXQIVOMBFOTLTL-UHFFFAOYSA-N
XLogP0.78
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.78
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-(oxolan-3-ylmethylamino)butanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide (CID 77061809) is N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide is CC(C)(CCNCC1CCOC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide?
The InChIKey is UXQIVOMBFOTLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-11(2,10(12)14-15)4-5-13-7-9-3-6-16-8-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide?
N'-hydroxy-2,2-dimethyl-4-(oxolan-3-ylmethylamino)butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.78, 6 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-(oxolan-3-ylmethylamino)butanimidamide is sourced from PubChem (CID 77061809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).