4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C15H22N4 — CID 114527344

IUPAC4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCCN(CCc1nccn1C)c1ccc(CN)cc1
InChIInChI=1S/C15H22N4/c1-3-19(10-8-15-17-9-11-18(15)2)14-6-4-13(12-16)5-7-14/h4-7,9,11H,3,8,10,12,16H2,1-2H3
InChIKeyZXZYSTWATFAPTK-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.95
Rot. Bonds6

About 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527344) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527344
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCCN(CCc1nccn1C)c1ccc(CN)cc1
InChIInChI=1S/C15H22N4/c1-3-19(10-8-15-17-9-11-18(15)2)14-6-4-13(12-16)5-7-14/h4-7,9,11H,3,8,10,12,16H2,1-2H3
InChIKeyZXZYSTWATFAPTK-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]aniline
CID 61214429
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrol-3-yl]methanamine
CID 114528915
N'-(3-methoxyphenyl)-N'-[2-(1-methylimidazol-2-yl)ethyl]propane-1,3-diamine
CID 114527323
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
methanamine;1-methyl-2-propylimidazole
CID 164902083
4-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63013979
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
azane;1-methyl-2-propylimidazole
CID 174525892
1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527359
1-[4-(aminomethyl)phenyl]-N-[(1-methylimidazol-2-yl)methyl]methanesulfonamide
CID 63293761
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527344) is 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is CCN(CCc1nccn1C)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is ZXZYSTWATFAPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19(10-8-15-17-9-11-18(15)2)14-6-4-13(12-16)5-7-14/h4-7,9,11H,3,8,10,12,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).