2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide

C11H23N3O2 — CID 104889556

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CC1CCC(C)(C)O1
InChIInChI=1S/C11H23N3O2/c1-8(10(12)13-15)14(4)7-9-5-6-11(2,3)16-9/h8-9,15H,5-7H2,1-4H3,(H2,12,13)
InChIKeyQLXUDZAEDNLAAX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds4

About 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide

2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide (PubChem CID 104889556) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
PubChem CID104889556
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)CC1CCC(C)(C)O1
InChIInChI=1S/C11H23N3O2/c1-8(10(12)13-15)14(4)7-9-5-6-11(2,3)16-9/h8-9,15H,5-7H2,1-4H3,(H2,12,13)
InChIKeyQLXUDZAEDNLAAX-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-3-[methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 43186226
5-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 54965754
N'-hydroxy-3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 55090557
N'-hydroxy-4-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61432526
N'-hydroxy-3-[methyl(oxolan-2-ylmethyl)amino]pentanimidamide
CID 61432577
4-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide
CID 61434758
3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxypentanimidamide
CID 61434857
3-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxybutanimidamide
CID 61434858
N'-hydroxy-5-[methyl(oxolan-2-ylmethyl)amino]pentanimidamide
CID 61524824
2-[Methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61692220
2-[Ethyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61692285
2-[Ethyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61697180

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide (CID 104889556) is 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)CC1CCC(C)(C)O1.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is QLXUDZAEDNLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(10(12)13-15)14(4)7-9-5-6-11(2,3)16-9/h8-9,15H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide?
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104889556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).