2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine

C15H22N4 — CID 66146733

IUPAC2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1C(C)c1ccncc1
InChIInChI=1S/C15H22N4/c1-12(2)8-17-9-15-10-18-11-19(15)13(3)14-4-6-16-7-5-14/h4-7,10-13,17H,8-9H2,1-3H3
InChIKeyFALXGINCWHTJDM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.63
Rot. Bonds6

About 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66146733) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID66146733
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1C(C)c1ccncc1
InChIInChI=1S/C15H22N4/c1-12(2)8-17-9-15-10-18-11-19(15)13(3)14-4-6-16-7-5-14/h4-7,10-13,17H,8-9H2,1-3H3
InChIKeyFALXGINCWHTJDM-UHFFFAOYSA-N
XLogP2.63
TPSA42.74 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66146731
N-[[3-[1-(3-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149670
2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 66151221
N-[[3-(1-phenylethyl)imidazol-4-yl]methyl]ethanamine
CID 66148577
2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
CID 19841742
2-methyl-N-[[3-(1-thiophen-2-ylbutyl)imidazol-4-yl]methyl]propan-1-amine
CID 66149673
2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
2-methyl-N-[[3-(1-thiophen-3-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66149926
N-[[1-[(3-ethylimidazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402249
N-[[3-[1-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114286408

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine (CID 66146733) is 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cncn1C(C)c1ccncc1.
What is the InChIKey of 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is FALXGINCWHTJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)8-17-9-15-10-18-11-19(15)13(3)14-4-6-16-7-5-14/h4-7,10-13,17H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(1-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66146733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).