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

C14H20N4 — CID 82559225

IUPACN,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline
SMILESCNCCn1ccnc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N4/c1-15-8-10-18-11-9-16-14(18)12-4-6-13(7-5-12)17(2)3/h4-7,9,11,15H,8,10H2,1-3H3
InChIKeyIBUGDWIGOQEFIB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.84
Rot. Bonds5

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

N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline (PubChem CID 82559225) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline
PubChem CID82559225
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline
SMILESCNCCn1ccnc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C14H20N4/c1-15-8-10-18-11-9-16-14(18)12-4-6-13(7-5-12)17(2)3/h4-7,9,11,15H,8,10H2,1-3H3
InChIKeyIBUGDWIGOQEFIB-UHFFFAOYSA-N
XLogP1.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
(2R)-1-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]propan-2-ol
CID 155918021
4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline
CID 82559230
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926
3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
CID 82559619
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
CID 82562114
[4-(dimethylamino)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560717
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
CID 55088185
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline (CID 82559225) is N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline is CNCCn1ccnc1-c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline?
The InChIKey is IBUGDWIGOQEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-15-8-10-18-11-9-16-14(18)12-4-6-13(7-5-12)17(2)3/h4-7,9,11,15H,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline?
N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline has a molecular weight of 244.34 g/mol, XLogP of 1.84, 5 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-[2-(methylamino)ethyl]imidazol-2-yl]aniline is sourced from PubChem (CID 82559225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).