N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide

C13H27N3O3 — CID 106101869

IUPACN'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
SMILESCC1OCCC1(O)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H27N3O3/c1-10-13(17,6-8-19-10)9-15-7-4-5-12(2,3)11(14)16-18/h10,15,17-18H,4-9H2,1-3H3,(H2,14,16)
InChIKeyFFVHAUQXFJEULK-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.67
Rot. Bonds7

About N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide (PubChem CID 106101869) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
PubChem CID106101869
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC NameN'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
SMILESCC1OCCC1(O)CNCCCC(C)(C)C(N)=NO
InChIInChI=1S/C13H27N3O3/c1-10-13(17,6-8-19-10)9-15-7-4-5-12(2,3)11(14)16-18/h10,15,17-18H,4-9H2,1-3H3,(H2,14,16)
InChIKeyFFVHAUQXFJEULK-UHFFFAOYSA-N
XLogP0.67
TPSA100.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.67
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-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101863
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methylamino]-2,2-dimethylpentanimidamide
CID 81131336
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-2,2-dimethyl-5-[(2-methyloxolan-3-yl)methylamino]pentanimidamide
CID 105739448
2-Methyl-3-[(2,3,4,5-tetrahydropyridin-6-ylamino)methyl]oxolan-3-ol
CID 106101039
N'-hydroxy-6-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylhexanimidamide
CID 106101835
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
CID 106101840
N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]-2,2-dimethylbutanimidamide
CID 106101844
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101846
N'-hydroxy-4-[(3-hydroxyoxolan-3-yl)methylamino]butanimidamide
CID 106101848

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide (CID 106101869) is N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide is CC1OCCC1(O)CNCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide?
The InChIKey is FFVHAUQXFJEULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-10-13(17,6-8-19-10)9-15-7-4-5-12(2,3)11(14)16-18/h10,15,17-18H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide has a molecular weight of 273.38 g/mol, XLogP of 0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 106101869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).