N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide

C15H24N4O — CID 76979517

IUPACN'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
SMILESCN(CCCN1CCCC1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C15H24N4O/c1-18(8-5-11-19-9-2-3-10-19)14-7-4-6-13(12-14)15(16)17-20/h4,6-7,12,20H,2-3,5,8-11H2,1H3,(H2,16,17)
InChIKeyIQFPQKYHPUCKHT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.70
Rot. Bonds6

About N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide

N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide (PubChem CID 76979517) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
PubChem CID76979517
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide
SMILESCN(CCCN1CCCC1)c1cccc(C(N)=NO)c1
InChIInChI=1S/C15H24N4O/c1-18(8-5-11-19-9-2-3-10-19)14-7-4-6-13(12-14)15(16)17-20/h4,6-7,12,20H,2-3,5,8-11H2,1H3,(H2,16,17)
InChIKeyIQFPQKYHPUCKHT-UHFFFAOYSA-N
XLogP1.70
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
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

N'-hydroxy-3-[3-imidazol-1-ylpropyl(methyl)amino]benzenecarboximidamide
CID 76979516
N'-hydroxy-3-[methyl(4-methylpentyl)amino]benzenecarboximidamide
CID 83156187
3-[ethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979490
N'-hydroxy-3-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 76979492
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
CID 103409993
4-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarbothioamide
CID 62969664
3-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24695733
3-[butan-2-yl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 62971843
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]benzenecarbothioamide
CID 107912225
N'-hydroxy-1-(2-pyrrolidin-1-ylethyl)indole-5-carboximidamide
CID 107920810
N'-hydroxy-3-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 76979496

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide (CID 76979517) is N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide is CN(CCCN1CCCC1)c1cccc(C(N)=NO)c1.
What is the InChIKey of N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide?
The InChIKey is IQFPQKYHPUCKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(8-5-11-19-9-2-3-10-19)14-7-4-6-13(12-14)15(16)17-20/h4,6-7,12,20H,2-3,5,8-11H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide?
N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide has a molecular weight of 276.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl(3-pyrrolidin-1-ylpropyl)amino]benzenecarboximidamide is sourced from PubChem (CID 76979517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).