N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide

C13H21N3O — CID 76928460

IUPACN'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
SMILESCC(C(N)=NO)N(C)CCCc1ccccc1
InChIInChI=1S/C13H21N3O/c1-11(13(14)15-17)16(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,17H,6,9-10H2,1-2H3,(H2,14,15)
InChIKeyUCUYWJRGYCGQHI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds6

About N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide

N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide (PubChem CID 76928460) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
PubChem CID76928460
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
SMILESCC(C(N)=NO)N(C)CCCc1ccccc1
InChIInChI=1S/C13H21N3O/c1-11(13(14)15-17)16(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,17H,6,9-10H2,1-2H3,(H2,14,15)
InChIKeyUCUYWJRGYCGQHI-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

1-[methyl(3-phenylpropyl)amino]ethanol
CID 67730739
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
CID 76997749
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N-methyl-5-phenyl-N-(1-phenylpropan-2-yl)pentan-1-amine
CID 14831238
1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
CID 141469460
N'-hydroxy-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
CID 77038150
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
(2S)-N-(methylcarbamoyl)-2-[methyl(4-phenylbutyl)amino]propanamide
CID 94184029

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide (CID 76928460) is N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide is CC(C(N)=NO)N(C)CCCc1ccccc1.
What is the InChIKey of N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide?
The InChIKey is UCUYWJRGYCGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(13(14)15-17)16(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,17H,6,9-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide?
N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide 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-[methyl(3-phenylpropyl)amino]propanimidamide is sourced from PubChem (CID 76928460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).