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

C13H22N4 — CID 63693855

IUPAC4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCCN(C)C)cc1
InChIInChI=1S/C13H22N4/c1-16(2)9-4-10-17(3)12-7-5-11(6-8-12)13(14)15/h5-8H,4,9-10H2,1-3H3,(H3,14,15)
InChIKeyQSUGYWCJZCDPPL-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.36
Rot. Bonds6

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

4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide (PubChem CID 63693855) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
PubChem CID63693855
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CCCN(C)C)cc1
InChIInChI=1S/C13H22N4/c1-16(2)9-4-10-17(3)12-7-5-11(6-8-12)13(14)15/h5-8H,4,9-10H2,1-3H3,(H3,14,15)
InChIKeyQSUGYWCJZCDPPL-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
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'}

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

4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
3-chloro-4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63692984
2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63694371
4-[3-(dimethylamino)propyl-methylamino]benzoic acid
CID 63695251
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
4-[(2-methoxy-5-methylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62970325
3-[methyl(nonyl)amino]benzenecarboximidamide
CID 63525360

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide (CID 63693855) is 4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CCCN(C)C)cc1.
What is the InChIKey of 4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
The InChIKey is QSUGYWCJZCDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)9-4-10-17(3)12-7-5-11(6-8-12)13(14)15/h5-8H,4,9-10H2,1-3H3,(H3,14,15).
What are the key properties of 4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide?
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide has a molecular weight of 234.35 g/mol, XLogP of 1.36, 6 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]benzenecarboximidamide is sourced from PubChem (CID 63693855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).