4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

C14H21N3O — CID 55163486

IUPAC4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)CCCN1Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H21N3O/c1-14(2)8-3-9-17(14)10-11-4-6-12(7-5-11)13(15)16-18/h4-7,18H,3,8-10H2,1-2H3,(H2,15,16)
InChIKeySBIUTMRCVHESTR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds3

About 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 55163486) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID55163486
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)CCCN1Cc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C14H21N3O/c1-14(2)8-3-9-17(14)10-11-4-6-12(7-5-11)13(15)16-18/h4-7,18H,3,8-10H2,1-2H3,(H2,15,16)
InChIKeySBIUTMRCVHESTR-UHFFFAOYSA-N
XLogP2.16
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
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

4-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 63219949
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]aniline
CID 63215847
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
CID 76948994
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975847
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 63219968
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzohydrazide
CID 55214615
N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 43372970
N'-hydroxy-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406545
N'-hydroxy-4-[(3-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 102958373

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 55163486) is 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is CC1(C)CCCN1Cc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is SBIUTMRCVHESTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2)8-3-9-17(14)10-11-4-6-12(7-5-11)13(15)16-18/h4-7,18H,3,8-10H2,1-2H3,(H2,15,16).
What are the key properties of 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55163486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).