4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide

C14H24N4 — CID 63694374

IUPAC4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCCN(C)C)cc1
InChIInChI=1S/C14H24N4/c1-17(2)9-4-10-18(3)11-12-5-7-13(8-6-12)14(15)16/h5-8H,4,9-11H2,1-3H3,(H3,15,16)
InChIKeyFCJNDCZSVGRESV-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.35
Rot. Bonds7

About 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide

4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide (PubChem CID 63694374) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
PubChem CID63694374
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)CCCN(C)C)cc1
InChIInChI=1S/C14H24N4/c1-17(2)9-4-10-18(3)11-12-5-7-13(8-6-12)14(15)16/h5-8H,4,9-11H2,1-3H3,(H3,15,16)
InChIKeyFCJNDCZSVGRESV-UHFFFAOYSA-N
XLogP1.35
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.35
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-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]benzenecarboximidamide
CID 55162446
4-[(4-fluorophenyl)methyl-methylamino]butanimidamide
CID 61413635
4-[[cyclopentylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 63632817
N'-[(4-aminophenyl)methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 23507168
4-[[cyclohexylmethyl(methyl)amino]methyl]benzenecarboximidamide
CID 61446374
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
1-[(4-carbamimidoylphenyl)methyl]-1-methoxyurea
CID 91049335
4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 63981703

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide (CID 63694374) is 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)CCCN(C)C)cc1.
What is the InChIKey of 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide?
The InChIKey is FCJNDCZSVGRESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-17(2)9-4-10-18(3)11-12-5-7-13(8-6-12)14(15)16/h5-8H,4,9-11H2,1-3H3,(H3,15,16).
What are the key properties of 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide?
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide has a molecular weight of 248.37 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 63694374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).