N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide

C10H23N3O2 — CID 77044643

IUPACN'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide
SMILESCC(C)OCCN(CC(N)=NO)C(C)C
InChIInChI=1S/C10H23N3O2/c1-8(2)13(7-10(11)12-14)5-6-15-9(3)4/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyANIZTXQJPSNOHW-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.87
Rot. Bonds7

About N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide

N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide (PubChem CID 77044643) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide
PubChem CID77044643
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC NameN'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide
SMILESCC(C)OCCN(CC(N)=NO)C(C)C
InChIInChI=1S/C10H23N3O2/c1-8(2)13(7-10(11)12-14)5-6-15-9(3)4/h8-9,14H,5-7H2,1-4H3,(H2,11,12)
InChIKeyANIZTXQJPSNOHW-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
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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Related Compounds

N'-hydroxy-2-[2-propan-2-yloxyethyl(propyl)amino]ethanimidamide
CID 76927761
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
CID 77073414
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]ethanimidamide
CID 103410003
N'-hydroxy-4-propan-2-yloxybutanimidamide
CID 24692714
N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
CID 77038150
N'-hydroxy-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethoxy]propanimidamide
CID 114266354
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096
2-[di(propan-2-yl)amino]-N'-hydroxyethanimidamide
CID 77044960
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
2-[bis(2-methoxyethyl)amino]-N'-hydroxyethanimidamide
CID 60661910
2-[(4-fluorophenyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 77044595
N-(2-amino-2-hydroxyiminoethyl)-3-ethoxy-N-propan-2-ylpropanamide
CID 77037878

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide (CID 77044643) is N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide is CC(C)OCCN(CC(N)=NO)C(C)C.
What is the InChIKey of N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide?
The InChIKey is ANIZTXQJPSNOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-8(2)13(7-10(11)12-14)5-6-15-9(3)4/h8-9,14H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide?
N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide has a molecular weight of 217.31 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide is sourced from PubChem (CID 77044643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).