4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide

C15H26N4 — CID 103189217

IUPAC4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)C(C)CN(C)C)cc1
InChIInChI=1S/C15H26N4/c1-5-19(12(2)10-18(3)4)11-13-6-8-14(9-7-13)15(16)17/h6-9,12H,5,10-11H2,1-4H3,(H3,16,17)
InChIKeyAXQFGVMAMCUIIM-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.74
Rot. Bonds7

About 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide

4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide (PubChem CID 103189217) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
PubChem CID103189217
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(CC)C(C)CN(C)C)cc1
InChIInChI=1S/C15H26N4/c1-5-19(12(2)10-18(3)4)11-13-6-8-14(9-7-13)15(16)17/h6-9,12H,5,10-11H2,1-4H3,(H3,16,17)
InChIKeyAXQFGVMAMCUIIM-UHFFFAOYSA-N
XLogP1.74
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.74
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-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]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-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 103192624
4-[[bis(2-methylpropyl)amino]methyl]benzenecarboximidamide
CID 61377517
4-[[methyl(2-methylbutan-2-yl)amino]methyl]benzenecarboximidamide
CID 63981703
4-[[1-methoxypropan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 54946663
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzenecarboximidamide
CID 63693518
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]benzenecarboximidamide
CID 55010658
4-[[3-(dimethylamino)propyl-methylamino]methyl]benzenecarboximidamide
CID 63694374
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
3-chloro-4-[1-(dimethylamino)propan-2-yl-ethylamino]benzenecarboximidamide
CID 103189206
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
CID 107694130

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide (CID 103189217) is 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(CC)C(C)CN(C)C)cc1.
What is the InChIKey of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide?
The InChIKey is AXQFGVMAMCUIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-19(12(2)10-18(3)4)11-13-6-8-14(9-7-13)15(16)17/h6-9,12H,5,10-11H2,1-4H3,(H3,16,17).
What are the key properties of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide?
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide has a molecular weight of 262.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide is sourced from PubChem (CID 103189217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).