N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide

C15H23N3O2 — CID 77031802

IUPACN'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
SMILESNC(CC(NCC1CCCOC1)c1ccccc1)=NO
InChIInChI=1S/C15H23N3O2/c16-15(18-19)9-14(13-6-2-1-3-7-13)17-10-12-5-4-8-20-11-12/h1-3,6-7,12,14,17,19H,4-5,8-11H2,(H2,16,18)
InChIKeyXVSNORISKWYBJA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.88
Rot. Bonds6

About N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide

N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide (PubChem CID 77031802) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
PubChem CID77031802
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
SMILESNC(CC(NCC1CCCOC1)c1ccccc1)=NO
InChIInChI=1S/C15H23N3O2/c16-15(18-19)9-14(13-6-2-1-3-7-13)17-10-12-5-4-8-20-11-12/h1-3,6-7,12,14,17,19H,4-5,8-11H2,(H2,16,18)
InChIKeyXVSNORISKWYBJA-UHFFFAOYSA-N
XLogP1.88
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
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-3-(oxan-3-ylmethylamino)butanimidamide
CID 77031801
3,3,3-trifluoro-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 61020486
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
N-(oxolan-3-ylmethyl)-1-phenylpropan-1-amine
CID 60920561
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]-3-phenylpropanimidamide
CID 106101829
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
CID 107137812
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
N'-hydroxy-3-(oxolan-3-ylmethylamino)pentanimidamide
CID 77032695
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide (CID 77031802) is N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide is NC(CC(NCC1CCCOC1)c1ccccc1)=NO.
What is the InChIKey of N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide?
The InChIKey is XVSNORISKWYBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-15(18-19)9-14(13-6-2-1-3-7-13)17-10-12-5-4-8-20-11-12/h1-3,6-7,12,14,17,19H,4-5,8-11H2,(H2,16,18).
What are the key properties of N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide?
N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide is sourced from PubChem (CID 77031802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).