4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline

C15H22N4 — CID 82559228

IUPAC4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nccn2CCCCN)cc1
InChIInChI=1S/C15H22N4/c1-18(2)14-7-5-13(6-8-14)15-17-10-12-19(15)11-4-3-9-16/h5-8,10,12H,3-4,9,11,16H2,1-2H3
InChIKeyYGGWHSPPNSGIDJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.36
Rot. Bonds6

About 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline

4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline (PubChem CID 82559228) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
PubChem CID82559228
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nccn2CCCCN)cc1
InChIInChI=1S/C15H22N4/c1-18(2)14-7-5-13(6-8-14)15-17-10-12-19(15)11-4-3-9-16/h5-8,10,12H,3-4,9,11,16H2,1-2H3
InChIKeyYGGWHSPPNSGIDJ-UHFFFAOYSA-N
XLogP2.36
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline
CID 82559225
4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559620
4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline
CID 82559230
(2R)-1-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]propan-2-ol
CID 155918021
N-(3-aminopropyl)-N-methyl-3-(2-phenylimidazol-1-yl)propanamide
CID 61070466
3-[2-[4-(2,2,2-trifluoroethyl)phenyl]imidazol-1-yl]propan-1-amine;dihydrochloride
CID 154923637
2-[2-(4-bromophenyl)imidazol-1-yl]ethanamine
CID 82486907
N-[4-[1-(2-aminoethyl)imidazol-2-yl]phenyl]acetamide
CID 82559349
3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559838
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
CID 82562114
3-[2-[4-[(1S)-1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]propan-1-ol
CID 95549869
[4-(dimethylamino)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560717

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline (CID 82559228) is 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nccn2CCCCN)cc1.
What is the InChIKey of 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline?
The InChIKey is YGGWHSPPNSGIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(2)14-7-5-13(6-8-14)15-17-10-12-19(15)11-4-3-9-16/h5-8,10,12H,3-4,9,11,16H2,1-2H3.
What are the key properties of 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline?
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline has a molecular weight of 258.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82559228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).