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

C13H22N4 — CID 63693518

IUPAC4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCN(C)C)cc1
InChIInChI=1S/C13H22N4/c1-16(2)8-9-17(3)10-11-4-6-12(7-5-11)13(14)15/h4-7H,8-10H2,1-3H3,(H3,14,15)
InChIKeyYAUFMSNVSFUCAM-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.96
Rot. Bonds6

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

4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide (PubChem CID 63693518) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
PubChem CID63693518
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCN(C)C)cc1
InChIInChI=1S/C13H22N4/c1-16(2)8-9-17(3)10-11-4-6-12(7-5-11)13(14)15/h4-7H,8-10H2,1-3H3,(H3,14,15)
InChIKeyYAUFMSNVSFUCAM-UHFFFAOYSA-N
XLogP0.96
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.96
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'}

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Related Compounds

4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 55162446
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
1-[(4-carbamimidoylphenyl)methyl]-1-methoxyurea
CID 91049335
4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 63981703
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 55013686
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 55010658

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide (CID 63693518) is 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CCN(C)C)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide?
The InChIKey is YAUFMSNVSFUCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)8-9-17(3)10-11-4-6-12(7-5-11)13(14)15/h4-7H,8-10H2,1-3H3,(H3,14,15).
What are the key properties of 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide?
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide has a molecular weight of 234.35 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63693518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).