3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide

C16H23N3O — CID 77045515

IUPAC3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide
SMILESNC(CC(NC1CC2CCC1C2)c1ccccc1)=NO
InChIInChI=1S/C16H23N3O/c17-16(19-20)10-15(12-4-2-1-3-5-12)18-14-9-11-6-7-13(14)8-11/h1-5,11,13-15,18,20H,6-10H2,(H2,17,19)
InChIKeyVSPSGOKATVYJRO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.64
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide

3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 77045515) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide
PubChem CID77045515
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide
SMILESNC(CC(NC1CC2CCC1C2)c1ccccc1)=NO
InChIInChI=1S/C16H23N3O/c17-16(19-20)10-15(12-4-2-1-3-5-12)18-14-9-11-6-7-13(14)8-11/h1-5,11,13-15,18,20H,6-10H2,(H2,17,19)
InChIKeyVSPSGOKATVYJRO-UHFFFAOYSA-N
XLogP2.64
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.64
H-Bond Donors ≤ 53
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

2-(2-bicyclo[2.2.1]heptanylamino)-2-phenylethanol
CID 63182183
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxybutanimidamide
CID 77045511
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 77099063
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-phenylacetamide
CID 129445975
N'-hydroxy-3-(oxan-3-ylmethylamino)-3-phenylpropanimidamide
CID 77031802
N'-hydroxy-3-(5-hydroxypentylamino)-3-phenylpropanimidamide
CID 107317928
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide (CID 77045515) is 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide is NC(CC(NC1CC2CCC1C2)c1ccccc1)=NO.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is VSPSGOKATVYJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(19-20)10-15(12-4-2-1-3-5-12)18-14-9-11-6-7-13(14)8-11/h1-5,11,13-15,18,20H,6-10H2,(H2,17,19).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide?
3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 273.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 77045515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).