4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide

C19H34N4O — CID 142802540

IUPAC4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCNCCNCCCCCC)c(C)c1
InChIInChI=1S/C19H34N4O/c1-3-4-5-6-10-22-12-13-23-11-7-14-24-18-9-8-17(19(20)21)15-16(18)2/h8-9,15,22-23H,3-7,10-14H2,1-2H3,(H3,20,21)
InChIKeyNVGGPTKHRFAEAM-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.81
Rot. Bonds14

About 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide

4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide (PubChem CID 142802540) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide
PubChem CID142802540
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCNCCNCCCCCC)c(C)c1
InChIInChI=1S/C19H34N4O/c1-3-4-5-6-10-22-12-13-23-11-7-14-24-18-9-8-17(19(20)21)15-16(18)2/h8-9,15,22-23H,3-7,10-14H2,1-2H3,(H3,20,21)
InChIKeyNVGGPTKHRFAEAM-UHFFFAOYSA-N
XLogP2.81
TPSA83.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide 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-butoxy-3-methylbenzenecarboximidamide
CID 60929965
4-[3-(dimethylamino)propoxy]-3-methylbenzenecarboximidamide
CID 61103074
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
5-methyl-2-octoxybenzenecarboximidamide
CID 107930759
4-octoxybenzenecarboximidamide
CID 3302492
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 60929232
N-[2-(2-methylphenoxy)ethyl]pentan-1-amine
CID 60684172
4-butyl-3-(2-hydroxyethoxy)benzenecarboximidamide
CID 89113398
4-[4-[4-(4-carbamimidoylphenoxy)butylamino]butoxy]-3-nitrobenzenecarboximidamide
CID 153322009

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide (CID 142802540) is 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCNCCNCCCCCC)c(C)c1.
What is the InChIKey of 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide?
The InChIKey is NVGGPTKHRFAEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-3-4-5-6-10-22-12-13-23-11-7-14-24-18-9-8-17(19(20)21)15-16(18)2/h8-9,15,22-23H,3-7,10-14H2,1-2H3,(H3,20,21).
What are the key properties of 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide?
4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide has a molecular weight of 334.51 g/mol, XLogP of 2.81, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(hexylamino)ethylamino]propoxy]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 142802540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).