4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide

C16H26N4O — CID 106790819

IUPAC4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCC2CN(C)C)cc1OC
InChIInChI=1S/C16H26N4O/c1-19(2)11-13-5-4-8-20(13)10-12-6-7-14(16(17)18)15(9-12)21-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H3,17,18)
InChIKeyYHJSULRNZIOFRD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.51
Rot. Bonds6

About 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide

4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide (PubChem CID 106790819) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
PubChem CID106790819
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCC2CN(C)C)cc1OC
InChIInChI=1S/C16H26N4O/c1-19(2)11-13-5-4-8-20(13)10-12-6-7-14(16(17)18)15(9-12)21-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H3,17,18)
InChIKeyYHJSULRNZIOFRD-UHFFFAOYSA-N
XLogP1.51
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.51
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'}

Analyze 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338983
5-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide
CID 65340327
2-methoxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 106790530
4-[(4-ethylazepan-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790895
4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790876
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]benzenecarboximidamide
CID 106790543
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
[3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methoxyphenyl]methanol
CID 62887966
4-[(2-ethylazepan-1-yl)methyl]-2-methoxybenzenecarbothioamide
CID 106788955
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 106790715
4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 106790956
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975847

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide (CID 106790819) is 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCCC2CN(C)C)cc1OC.
What is the InChIKey of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is YHJSULRNZIOFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(2)11-13-5-4-8-20(13)10-12-6-7-14(16(17)18)15(9-12)21-3/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H3,17,18).
What are the key properties of 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide?
4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).