3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide

C12H25N3O2 — CID 104889550

IUPAC3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25N3O2/c1-4-15(8-6-11(13)14-16)9-10-5-7-12(2,3)17-10/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyCJUFJQJEYCJPPD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.40
Rot. Bonds6

About 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide

3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide (PubChem CID 104889550) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide
PubChem CID104889550
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide
SMILESCCN(CCC(N)=NO)CC1CCC(C)(C)O1
InChIInChI=1S/C12H25N3O2/c1-4-15(8-6-11(13)14-16)9-10-5-7-12(2,3)17-10/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyCJUFJQJEYCJPPD-UHFFFAOYSA-N
XLogP1.40
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide (CID 104889550) is 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide is CCN(CCC(N)=NO)CC1CCC(C)(C)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is CJUFJQJEYCJPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-15(8-6-11(13)14-16)9-10-5-7-12(2,3)17-10/h10,16H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide?
3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methyl-ethylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104889550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).