N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide

C16H26N4O — CID 77043951

IUPACN'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide
SMILESNC(=NO)C(CNCCCN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N4O/c17-16(19-21)15(14-7-2-1-3-8-14)13-18-9-6-12-20-10-4-5-11-20/h1-3,7-8,15,18,21H,4-6,9-13H2,(H2,17,19)
InChIKeyQNIMVJMBEIVRAJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.59
Rot. Bonds8

About N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide

N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide (PubChem CID 77043951) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide
PubChem CID77043951
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide
SMILESNC(=NO)C(CNCCCN1CCCC1)c1ccccc1
InChIInChI=1S/C16H26N4O/c17-16(19-21)15(14-7-2-1-3-8-14)13-18-9-6-12-20-10-4-5-11-20/h1-3,7-8,15,18,21H,4-6,9-13H2,(H2,17,19)
InChIKeyQNIMVJMBEIVRAJ-UHFFFAOYSA-N
XLogP1.59
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanimidamide
CID 106311040
2-[[(3Z)-3-amino-3-hydroxyimino-2-phenylpropyl]amino]ethylurea
CID 83121817
N'-hydroxy-2-phenyl-3-(3,3,3-trifluoropropylamino)propanimidamide
CID 77043819
methyl 2-phenyl-3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 64561155
N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
CID 77043943
3-(cyclohexylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043811
N'-hydroxy-2-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanimidamide
CID 106429236
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
3-(but-2-ynylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 113464676
3-(butan-2-ylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77043803
3-[(4-bromophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043527
N'-hydroxy-2-phenyl-3-(1-phenylethylamino)propanimidamide
CID 77043722

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide (CID 77043951) is N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide is NC(=NO)C(CNCCCN1CCCC1)c1ccccc1.
What is the InChIKey of N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide?
The InChIKey is QNIMVJMBEIVRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-16(19-21)15(14-7-2-1-3-8-14)13-18-9-6-12-20-10-4-5-11-20/h1-3,7-8,15,18,21H,4-6,9-13H2,(H2,17,19).
What are the key properties of N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide?
N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide has a molecular weight of 290.41 g/mol, XLogP of 1.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-phenyl-3-(3-pyrrolidin-1-ylpropylamino)propanimidamide is sourced from PubChem (CID 77043951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).