3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide

C16H23N3O — CID 77044147

IUPAC3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CNC(C1CC1)C1CC1)c1ccccc1
InChIInChI=1S/C16H23N3O/c17-16(19-20)14(11-4-2-1-3-5-11)10-18-15(12-6-7-12)13-8-9-13/h1-5,12-15,18,20H,6-10H2,(H2,17,19)
InChIKeyULLHJPYMMKIJDH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.29
Rot. Bonds7

About 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide

3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77044147) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77044147
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CNC(C1CC1)C1CC1)c1ccccc1
InChIInChI=1S/C16H23N3O/c17-16(19-20)14(11-4-2-1-3-5-11)10-18-15(12-6-7-12)13-8-9-13/h1-5,12-15,18,20H,6-10H2,(H2,17,19)
InChIKeyULLHJPYMMKIJDH-UHFFFAOYSA-N
XLogP2.29
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.29
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

N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-3-(oxolan-3-ylamino)-2-phenylpropanimidamide
CID 80713268
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043954
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
CID 77043943
N'-hydroxy-3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-2-phenylpropanimidamide
CID 80719517
N'-hydroxy-3-[(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043729
N'-hydroxy-3-(octan-4-ylamino)-2-phenylpropanimidamide
CID 106019387
N-(dicyclopropylmethyl)-2-phenylpropan-1-amine
CID 43204178
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide (CID 77044147) is 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide is NC(=NO)C(CNC(C1CC1)C1CC1)c1ccccc1.
What is the InChIKey of 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is ULLHJPYMMKIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(19-20)14(11-4-2-1-3-5-11)10-18-15(12-6-7-12)13-8-9-13/h1-5,12-15,18,20H,6-10H2,(H2,17,19).
What are the key properties of 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide?
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 273.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77044147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).