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

C13H27N3O3 — CID 104762088

IUPACN'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
SMILESCOC1(CNCCCC(C)(C)C(N)=NO)CCOC1
InChIInChI=1S/C13H27N3O3/c1-12(2,11(14)16-17)5-4-7-15-9-13(18-3)6-8-19-10-13/h15,17H,4-10H2,1-3H3,(H2,14,16)
InChIKeyVMPPAWLVLVOQRI-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.93
Rot. Bonds8

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

N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide (PubChem CID 104762088) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
PubChem CID104762088
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC NameN'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide
SMILESCOC1(CNCCCC(C)(C)C(N)=NO)CCOC1
InChIInChI=1S/C13H27N3O3/c1-12(2,11(14)16-17)5-4-7-15-9-13(18-3)6-8-19-10-13/h15,17H,4-10H2,1-3H3,(H2,14,16)
InChIKeyVMPPAWLVLVOQRI-UHFFFAOYSA-N
XLogP0.93
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
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

N'-hydroxy-2,2-dimethyl-5-(oxolan-2-ylmethylamino)pentanimidamide
CID 77063509
N'-hydroxy-5-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylpentanimidamide
CID 77063527
5-(1,4-dioxan-2-ylmethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063605
N'-hydroxy-2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanimidamide
CID 77063778
5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064060
5-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064097
N'-hydroxy-2,2-dimethyl-5-[(2-methyloxolan-2-yl)methylamino]pentanimidamide
CID 80178435
N'-hydroxy-2,2-dimethyl-4-[(2-methyloxolan-2-yl)methylamino]butanimidamide
CID 80178436
N'-hydroxy-2,2-dimethyl-5-(oxolan-3-ylamino)pentanimidamide
CID 80712805
N'-hydroxy-2,2-dimethyl-5-[(2-methyloxolan-3-yl)amino]pentanimidamide
CID 82728807
N'-hydroxy-4-[(3-methoxyoxolan-3-yl)methylamino]butanimidamide
CID 104762084
N'-hydroxy-3-[(3-methoxyoxolan-3-yl)methylamino]-2-methylpropanimidamide
CID 104762085

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide (CID 104762088) is N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide is COC1(CNCCCC(C)(C)C(N)=NO)CCOC1.
What is the InChIKey of N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide?
The InChIKey is VMPPAWLVLVOQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-12(2,11(14)16-17)5-4-7-15-9-13(18-3)6-8-19-10-13/h15,17H,4-10H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide has a molecular weight of 273.38 g/mol, XLogP of 0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(3-methoxyoxolan-3-yl)methylamino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 104762088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).