3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide

C14H21N3O — CID 77029618

IUPAC3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
SMILESCC(NC(CC(N)=NO)c1ccccc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-10(11-7-8-11)16-13(9-14(15)17-18)12-5-3-2-4-6-12/h2-6,10-11,13,16,18H,7-9H2,1H3,(H2,15,17)
InChIKeyLIUMLDQQGOXBHM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.25
Rot. Bonds6

About 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide

3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 77029618) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
PubChem CID77029618
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
SMILESCC(NC(CC(N)=NO)c1ccccc1)C1CC1
InChIInChI=1S/C14H21N3O/c1-10(11-7-8-11)16-13(9-14(15)17-18)12-5-3-2-4-6-12/h2-6,10-11,13,16,18H,7-9H2,1H3,(H2,15,17)
InChIKeyLIUMLDQQGOXBHM-UHFFFAOYSA-N
XLogP2.25
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.25
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

3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81389056
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
CID 77028172
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831
N'-hydroxy-3-(3-hydroxybutylamino)-3-phenylpropanimidamide
CID 77050252
N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
CID 106350283
N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
CID 106019347
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
3-(benzhydrylamino)-N'-hydroxybutanimidamide
CID 77028150

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide (CID 77029618) is 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide is CC(NC(CC(N)=NO)c1ccccc1)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is LIUMLDQQGOXBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(11-7-8-11)16-13(9-14(15)17-18)12-5-3-2-4-6-12/h2-6,10-11,13,16,18H,7-9H2,1H3,(H2,15,17).
What are the key properties of 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide?
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 247.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 77029618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).