N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide

C15H24N4O — CID 77043943

IUPACN'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
SMILESCN1CCC(CNCC(C(N)=NO)c2ccccc2)C1
InChIInChI=1S/C15H24N4O/c1-19-8-7-12(11-19)9-17-10-14(15(16)18-20)13-5-3-2-4-6-13/h2-6,12,14,17,20H,7-11H2,1H3,(H2,16,18)
InChIKeyVMLVLDJPIXOAKW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.06
Rot. Bonds6

About N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide

N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide (PubChem CID 77043943) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
PubChem CID77043943
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
SMILESCN1CCC(CNCC(C(N)=NO)c2ccccc2)C1
InChIInChI=1S/C15H24N4O/c1-19-8-7-12(11-19)9-17-10-14(15(16)18-20)13-5-3-2-4-6-13/h2-6,12,14,17,20H,7-11H2,1H3,(H2,16,18)
InChIKeyVMLVLDJPIXOAKW-UHFFFAOYSA-N
XLogP1.06
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.06
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

3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide
CID 77043951
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147
N'-hydroxy-2-phenyl-3-(4-propylpiperidin-1-yl)propanimidamide
CID 77043598
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
N'-hydroxy-2-phenyl-3-(prop-2-enylamino)propanimidamide
CID 77043643
N'-hydroxy-3-[(2-hydroxy-4-methylpentyl)amino]-2-phenylpropanimidamide
CID 107153079
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylbutan-1-amine
CID 60856064

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide (CID 77043943) is N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide is CN1CCC(CNCC(C(N)=NO)c2ccccc2)C1.
What is the InChIKey of N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide?
The InChIKey is VMLVLDJPIXOAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-19-8-7-12(11-19)9-17-10-14(15(16)18-20)13-5-3-2-4-6-13/h2-6,12,14,17,20H,7-11H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide?
N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide has a molecular weight of 276.38 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide is sourced from PubChem (CID 77043943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).