N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide

C15H25N3O2 — CID 76914449

IUPACN'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
SMILESCC(C)CN(CCOc1ccccc1)CCC(N)=NO
InChIInChI=1S/C15H25N3O2/c1-13(2)12-18(9-8-15(16)17-19)10-11-20-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3,(H2,16,17)
InChIKeyBVIXQYZWMGTLLB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.16
Rot. Bonds9

About N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide

N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide (PubChem CID 76914449) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
PubChem CID76914449
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide
SMILESCC(C)CN(CCOc1ccccc1)CCC(N)=NO
InChIInChI=1S/C15H25N3O2/c1-13(2)12-18(9-8-15(16)17-19)10-11-20-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3,(H2,16,17)
InChIKeyBVIXQYZWMGTLLB-UHFFFAOYSA-N
XLogP2.16
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.16
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

3-[(2,2-difluoro-2-phenylethyl)-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 116789548
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
N'-hydroxy-2-methyl-3-[methyl(2-phenoxyethyl)amino]propanimidamide
CID 76914446
3-[2-(4-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 94231255
3-[butyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917226
3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911367
2-[2-methylpropyl(3-phenoxypropyl)amino]acetic acid
CID 63064164
2-[2-(4-bromophenoxy)ethyl-(2-methylpropyl)amino]acetamide
CID 54942583
3-[2-[bis(2-methylpropyl)amino]ethoxy]benzenecarbothioamide
CID 61376930
N'-hydroxy-5-[2-methoxyethyl(2-methylpropyl)amino]pentanimidamide
CID 54986697
N'-hydroxy-3-[2-methoxyethyl(2-phenylsulfanylethyl)amino]propanimidamide
CID 79222130
3-[2-(3-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 54971448

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide (CID 76914449) is N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide is CC(C)CN(CCOc1ccccc1)CCC(N)=NO.
What is the InChIKey of N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide?
The InChIKey is BVIXQYZWMGTLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13(2)12-18(9-8-15(16)17-19)10-11-20-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide?
N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide has a molecular weight of 279.38 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpropyl(2-phenoxyethyl)amino]propanimidamide is sourced from PubChem (CID 76914449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).