4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide

C24H36N4 — CID 142891850

IUPAC4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(C(c2cccc(N)c2)N(CCC)CCC)cc1)N(CC)CC
InChIInChI=1S/C24H36N4/c1-5-16-28(17-6-2)23(21-10-9-11-22(25)18-21)19-12-14-20(15-13-19)24(26)27(7-3)8-4/h9-15,18,23,26H,5-8,16-17,25H2,1-4H3/b26-24-
InChIKeyGILMOAOWUJDNAS-LCUIJRPUSA-N
MW380.58 g/mol
LogP5.15
Rot. Bonds10

About 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide

4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide (PubChem CID 142891850) has the molecular formula C24H36N4 and a molecular weight of 380.58 g/mol. Its IUPAC name is 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide
PubChem CID142891850
Molecular FormulaC24H36N4
Molecular Weight380.58 g/mol
Exact Mass380.29
IUPAC Name4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide
SMILES[H]/N=C(/c1ccc(C(c2cccc(N)c2)N(CCC)CCC)cc1)N(CC)CC
InChIInChI=1S/C24H36N4/c1-5-16-28(17-6-2)23(21-10-9-11-22(25)18-21)19-12-14-20(15-13-19)24(26)27(7-3)8-4/h9-15,18,23,26H,5-8,16-17,25H2,1-4H3/b26-24-
InChIKeyGILMOAOWUJDNAS-LCUIJRPUSA-N
XLogP5.15
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-aminophenyl)ethyl-propylamino]ethanol
CID 61424975
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
3-[(R)-(4-fluorophenyl)-(N-propylanilino)methyl]aniline
CID 70188102
3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
CID 79476910
4-[(S)-(3-aminophenyl)-(4-methylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
CID 58664222
N-(2-ethoxyethyl)-N-ethylbenzenecarboximidamide
CID 63692580
2-(3-aminophenyl)pentanoic acid
CID 119088607
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
CID 106591163
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
3-[1-[cyclopropyl(propyl)amino]ethyl]aniline
CID 61262198
4-[(R)-(3-aminophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 10319981
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide?
The IUPAC name of 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide (CID 142891850) is 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide?
The canonical SMILES for 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide is [H]/N=C(/c1ccc(C(c2cccc(N)c2)N(CCC)CCC)cc1)N(CC)CC.
What is the InChIKey of 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide?
The InChIKey is GILMOAOWUJDNAS-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H36N4/c1-5-16-28(17-6-2)23(21-10-9-11-22(25)18-21)19-12-14-20(15-13-19)24(26)27(7-3)8-4/h9-15,18,23,26H,5-8,16-17,25H2,1-4H3/b26-24-.
What are the key properties of 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide?
4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide has a molecular weight of 380.58 g/mol, XLogP of 5.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminophenyl)-(dipropylamino)methyl]-N,N-diethylbenzenecarboximidamide is sourced from PubChem (CID 142891850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).