2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

C15H22N4 — CID 63795220

IUPAC2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCC(N)Cc1ccccc1N(C)Cc1nccn1C
InChIInChI=1S/C15H22N4/c1-12(16)10-13-6-4-5-7-14(13)19(3)11-15-17-8-9-18(15)2/h4-9,12H,10-11,16H2,1-3H3
InChIKeyUHQKRYODJKXHKZ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.95
Rot. Bonds5

About 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline

2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (PubChem CID 63795220) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
PubChem CID63795220
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
SMILESCC(N)Cc1ccccc1N(C)Cc1nccn1C
InChIInChI=1S/C15H22N4/c1-12(16)10-13-6-4-5-7-14(13)19(3)11-15-17-8-9-18(15)2/h4-9,12H,10-11,16H2,1-3H3
InChIKeyUHQKRYODJKXHKZ-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 63025572
(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 63371947
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
4-[(1R)-1-aminoethyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935414
4-[(1S)-1-aminoethyl]-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63369043
4-[(1S)-1-aminoethyl]-2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 78935606
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63027015
4-(2-aminobutyl)-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 63793316
2-fluoro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]benzenecarbothioamide
CID 79519844
2-(aminomethyl)-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 55181751

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline (CID 63795220) is 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is CC(N)Cc1ccccc1N(C)Cc1nccn1C.
What is the InChIKey of 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
The InChIKey is UHQKRYODJKXHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(16)10-13-6-4-5-7-14(13)19(3)11-15-17-8-9-18(15)2/h4-9,12H,10-11,16H2,1-3H3.
What are the key properties of 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline?
2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline has a molecular weight of 258.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 63795220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).