N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine

C15H22N4 — CID 80635627

IUPACN-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2ccnc2CC)c(C)c1
InChIInChI=1S/C15H22N4/c1-4-6-16-10-13-9-12(3)15(18-11-13)19-8-7-17-14(19)5-2/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeySSMZLYHICHSYIH-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.64
Rot. Bonds6

About N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine

N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine (PubChem CID 80635627) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
PubChem CID80635627
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2ccnc2CC)c(C)c1
InChIInChI=1S/C15H22N4/c1-4-6-16-10-13-9-12(3)15(18-11-13)19-8-7-17-14(19)5-2/h7-9,11,16H,4-6,10H2,1-3H3
InChIKeySSMZLYHICHSYIH-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-ethylimidazol-1-yl)-3-methylphenyl]methyl]propan-1-amine
CID 62124555
2-[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634700
N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80635268
6-(2-ethylimidazol-1-yl)-5-methylpyridin-3-amine
CID 62476570
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
N-[[4-methyl-3-(2-propylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406336
4-(2-ethylimidazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80857358
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80630835
N-[[3-methyl-4-[(1-methylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79737937
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80638418
N-[[5-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 80636901

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine (CID 80635627) is N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(-n2ccnc2CC)c(C)c1.
What is the InChIKey of N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is SSMZLYHICHSYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-6-16-10-13-9-12(3)15(18-11-13)19-8-7-17-14(19)5-2/h7-9,11,16H,4-6,10H2,1-3H3.
What are the key properties of N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine?
N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethylimidazol-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 80635627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).