N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide

C8H18N2O3 — CID 24692470

IUPACN'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide
SMILESCC(C)OCCOCC/C(N)=N/O
InChIInChI=1S/C8H18N2O3/c1-7(2)13-6-5-12-4-3-8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10)
InChIKeyLBCYKSKEBCNUEJ-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.56
Rot. Bonds7

About N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide

N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide (PubChem CID 24692470) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide
PubChem CID24692470
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide
SMILESCC(C)OCCOCC/C(N)=N/O
InChIInChI=1S/C8H18N2O3/c1-7(2)13-6-5-12-4-3-8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10)
InChIKeyLBCYKSKEBCNUEJ-UHFFFAOYSA-N
XLogP0.56
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide (CID 24692470) is N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide is CC(C)OCCOCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide?
The InChIKey is LBCYKSKEBCNUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-7(2)13-6-5-12-4-3-8(9)10-11/h7,11H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide?
N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide has a molecular weight of 190.24 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-propan-2-yloxyethoxy)propanimidamide is sourced from PubChem (CID 24692470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).