N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide

C13H19N3O — CID 77030977

IUPACN'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
SMILESCC(CNC1CC1c1ccccc1)C(N)=NO
InChIInChI=1S/C13H19N3O/c1-9(13(14)16-17)8-15-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12,15,17H,7-8H2,1H3,(H2,14,16)
InChIKeyGCTWAKLQIBOXAG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.51
Rot. Bonds5

About N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide

N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide (PubChem CID 77030977) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
PubChem CID77030977
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
SMILESCC(CNC1CC1c1ccccc1)C(N)=NO
InChIInChI=1S/C13H19N3O/c1-9(13(14)16-17)8-15-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12,15,17H,7-8H2,1H3,(H2,14,16)
InChIKeyGCTWAKLQIBOXAG-UHFFFAOYSA-N
XLogP1.51
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.51
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

(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
2-(N'-hydroxycarbamimidoyl)-N-(2-phenylcyclopropyl)pentanamide
CID 76923919
N'-hydroxy-2,2-dimethyl-5-[(2-phenylcyclopropyl)amino]pentanimidamide
CID 77063981
N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
CID 81093085
N'-hydroxy-3-[(2-phenylcyclopropyl)amino]pentanimidamide
CID 77031419
2-(2-methylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110912321
2-[(2-phenylcyclopropyl)amino]butanamide
CID 62901755
3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid
CID 103244651
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415
3-[(2-ethylphenyl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77052059

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide (CID 77030977) is N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide is CC(CNC1CC1c1ccccc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide?
The InChIKey is GCTWAKLQIBOXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(13(14)16-17)8-15-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12,15,17H,7-8H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide?
N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide has a molecular weight of 233.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide is sourced from PubChem (CID 77030977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).