4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide

C14H24N4O — CID 106790869

IUPAC4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCN(C)C)cc1OC
InChIInChI=1S/C14H24N4O/c1-17(2)7-8-18(3)10-11-5-6-12(14(15)16)13(9-11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H3,15,16)
InChIKeyAHRAYZYJCVTOTM-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.97
Rot. Bonds7

About 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide

4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide (PubChem CID 106790869) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
PubChem CID106790869
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCN(C)C)cc1OC
InChIInChI=1S/C14H24N4O/c1-17(2)7-8-18(3)10-11-5-6-12(14(15)16)13(9-11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H3,15,16)
InChIKeyAHRAYZYJCVTOTM-UHFFFAOYSA-N
XLogP0.97
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.97
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'}

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
2-methoxy-4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 106790881
2-methoxy-5-[[methyl(2-methylsulfanylethyl)amino]methyl]benzenecarboximidamide
CID 112660240
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790577
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
CID 81056628
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790693
2-methoxy-4-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 106790873
2-methoxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 106790768
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790755
2-methoxy-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzenecarboximidamide
CID 65340080
2-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzenecarboximidamide
CID 106791383

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide (CID 106790869) is 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CCN(C)C)cc1OC.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide?
The InChIKey is AHRAYZYJCVTOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17(2)7-8-18(3)10-11-5-6-12(14(15)16)13(9-11)19-4/h5-6,9H,7-8,10H2,1-4H3,(H3,15,16).
What are the key properties of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide?
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide has a molecular weight of 264.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106790869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).