N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide

C11H23N3O2 — CID 76911365

IUPACN'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)CC1CCOC1
InChIInChI=1S/C11H23N3O2/c1-9(2)14(5-3-11(12)13-15)7-10-4-6-16-8-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyGLMQEBQHANENDK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds6

About N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide

N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide (PubChem CID 76911365) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide
PubChem CID76911365
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)CC1CCOC1
InChIInChI=1S/C11H23N3O2/c1-9(2)14(5-3-11(12)13-15)7-10-4-6-16-8-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyGLMQEBQHANENDK-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.87
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 N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide (CID 76911365) is N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide is CC(C)N(CCC(N)=NO)CC1CCOC1.
What is the InChIKey of N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide?
The InChIKey is GLMQEBQHANENDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)14(5-3-11(12)13-15)7-10-4-6-16-8-10/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide?
N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[oxolan-3-ylmethyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 76911365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).