N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide

C11H23N3O3 — CID 106101844

IUPACN'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCC1(O)CCOC1)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-10(2,9(12)14-16)3-5-13-7-11(15)4-6-17-8-11/h13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyKQCNUPAKWDEOLN-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.11
Rot. Bonds6

About N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide (PubChem CID 106101844) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
PubChem CID106101844
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNCC1(O)CCOC1)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-10(2,9(12)14-16)3-5-13-7-11(15)4-6-17-8-11/h13,15-16H,3-8H2,1-2H3,(H2,12,14)
InChIKeyKQCNUPAKWDEOLN-UHFFFAOYSA-N
XLogP-0.11
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101833
4-[(2,3-dihydroxy-2-methylpropyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77114403
3-[(3,3-Dimethylbutylamino)methyl]oxolan-3-ol
CID 102672702
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762084
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 104762085
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 104762088
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
CID 104762093
N'-hydroxy-2-[1-[[(3-methoxyoxolan-3-yl)methylamino]methyl]cyclopropyl]ethanimidamide
CID 104762096
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762098
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]propanimidamide
CID 104762100
N'-hydroxy-2-[(3-methoxyoxolan-3-yl)methylamino]ethanimidamide
CID 104762101
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]propanimidamide
CID 106101826

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide (CID 106101844) is N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide is CC(C)(CCNCC1(O)CCOC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide?
The InChIKey is KQCNUPAKWDEOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-10(2,9(12)14-16)3-5-13-7-11(15)4-6-17-8-11/h13,15-16H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide has a molecular weight of 245.32 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 106101844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).