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

C13H21N3O — CID 77038150

IUPACN'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
SMILESCC(C)N(CCc1ccccc1)CC(N)=NO
InChIInChI=1S/C13H21N3O/c1-11(2)16(10-13(14)15-17)9-8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,14,15)
InChIKeyLLJPYKXUSQETCP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds6

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

N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide (PubChem CID 77038150) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
PubChem CID77038150
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
SMILESCC(C)N(CCc1ccccc1)CC(N)=NO
InChIInChI=1S/C13H21N3O/c1-11(2)16(10-13(14)15-17)9-8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,14,15)
InChIKeyLLJPYKXUSQETCP-UHFFFAOYSA-N
XLogP1.69
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
CID 77069695
2-[(4-fluorophenyl)methyl-propan-2-ylamino]-N'-hydroxyethanimidamide
CID 77044595
N'-hydroxy-2-[(3-methoxyphenyl)methyl-propan-2-ylamino]ethanimidamide
CID 77044695
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
CID 77073414
N'-hydroxy-2-[propan-2-yl(2-propan-2-yloxyethyl)amino]ethanimidamide
CID 77044643
2-[1-aminoethyl(2-phenylethyl)amino]ethanol
CID 174769140
N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide
CID 43185342
N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
CID 76928460
2-[benzylsulfonyl(propyl)amino]-N'-hydroxyethanimidamide
CID 76927546
3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide
CID 54997431
3-[benzyl(ethyl)amino]-N'-hydroxypentanimidamide
CID 43175067

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide (CID 77038150) is N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide is CC(C)N(CCc1ccccc1)CC(N)=NO.
What is the InChIKey of N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide?
The InChIKey is LLJPYKXUSQETCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(2)16(10-13(14)15-17)9-8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide?
N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide has a molecular weight of 235.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide is sourced from PubChem (CID 77038150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).