2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide

C14H22N4O — CID 55158359

IUPAC2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)C1CCN(Cc2ccccc2/C(N)=N/O)C1
InChIInChI=1S/C14H22N4O/c1-17(2)12-7-8-18(10-12)9-11-5-3-4-6-13(11)14(15)16-19/h3-6,12,19H,7-10H2,1-2H3,(H2,15,16)
InChIKeyASJBWEQJXKJBFU-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.92
Rot. Bonds4

About 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide

2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 55158359) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID55158359
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
SMILESCN(C)C1CCN(Cc2ccccc2/C(N)=N/O)C1
InChIInChI=1S/C14H22N4O/c1-17(2)12-7-8-18(10-12)9-11-5-3-4-6-13(11)14(15)16-19/h3-6,12,19H,7-10H2,1-2H3,(H2,15,16)
InChIKeyASJBWEQJXKJBFU-UHFFFAOYSA-N
XLogP0.92
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.92
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

2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76934516
methyl 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoate
CID 82969270
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061
3-chloro-4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666931
N'-hydroxy-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 77073352
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994220
5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065803
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
N'-hydroxy-2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82015571
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
1-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167084
2-fluoro-N'-hydroxy-3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 107117406

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide (CID 55158359) is 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide is CN(C)C1CCN(Cc2ccccc2/C(N)=N/O)C1.
What is the InChIKey of 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is ASJBWEQJXKJBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17(2)12-7-8-18(10-12)9-11-5-3-4-6-13(11)14(15)16-19/h3-6,12,19H,7-10H2,1-2H3,(H2,15,16).
What are the key properties of 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide?
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 262.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 55158359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).