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

C15H25N3O — CID 54998197

IUPACN'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCCc1ccccc1)CC/C(N)=N/O
InChIInChI=1S/C15H25N3O/c1-13(2)18(12-10-15(16)17-19)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,19H,6,9-12H2,1-2H3,(H2,16,17)
InChIKeyIQHQJWUMFDMLRI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds8

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

N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide (PubChem CID 54998197) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
PubChem CID54998197
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
SMILESCC(C)N(CCCc1ccccc1)CC/C(N)=N/O
InChIInChI=1S/C15H25N3O/c1-13(2)18(12-10-15(16)17-19)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,19H,6,9-12H2,1-2H3,(H2,16,17)
InChIKeyIQHQJWUMFDMLRI-UHFFFAOYSA-N
XLogP2.47
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
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-2-[2-phenylethyl(propan-2-yl)amino]ethanimidamide
CID 77038150
N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
CID 77069695
N'-hydroxy-3-[N-(2-phenylethyl)anilino]propanimidamide
CID 43185342
3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76929898
N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
CID 76928460
N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide
CID 76911368
N'-hydroxy-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanimidamide
CID 54998003
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
3-[butan-2-yl(3-phenylpropyl)amino]propanoic acid
CID 82329035
N'-hydroxy-3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54998200
3-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 105403745
3-[cyclopropyl(2-phenylethyl)amino]-N'-hydroxypropanimidamide
CID 54997431

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide (CID 54998197) is N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide is CC(C)N(CCCc1ccccc1)CC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide?
The InChIKey is IQHQJWUMFDMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)18(12-10-15(16)17-19)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,19H,6,9-12H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide?
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide has a molecular weight of 263.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide is sourced from PubChem (CID 54998197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).