N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline

C17H26N4 — CID 105167752

IUPACN,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline
SMILESCCCn1ccnc1CC(NC)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H26N4/c1-5-11-21-12-10-19-17(21)13-16(18-2)14-6-8-15(9-7-14)20(3)4/h6-10,12,16,18H,5,11,13H2,1-4H3
InChIKeyFTTIEEBEIJXAFK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.86
Rot. Bonds7

About N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline

N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline (PubChem CID 105167752) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline
PubChem CID105167752
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline
SMILESCCCn1ccnc1CC(NC)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H26N4/c1-5-11-21-12-10-19-17(21)13-16(18-2)14-6-8-15(9-7-14)20(3)4/h6-10,12,16,18H,5,11,13H2,1-4H3
InChIKeyFTTIEEBEIJXAFK-UHFFFAOYSA-N
XLogP2.86
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylsulfanylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106848789
1-(4-fluoro-3-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751378
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012440
[1-(4-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323447
N-methyl-1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 79752583
1-(2,4-dichlorophenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012439
1-(2-chloro-4-methylphenyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 106858171
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009061
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79780317
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105167615
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline (CID 105167752) is N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline is CCCn1ccnc1CC(NC)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline?
The InChIKey is FTTIEEBEIJXAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-5-11-21-12-10-19-17(21)13-16(18-2)14-6-8-15(9-7-14)20(3)4/h6-10,12,16,18H,5,11,13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline?
N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(methylamino)-2-(1-propylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 105167752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).