[2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine

C17H23N3 — CID 82123695

IUPAC[2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1ccc(-c2nc3n(c2CN)CCC(C)C3)c(C)c1
InChIInChI=1S/C17H23N3/c1-11-4-5-14(13(3)8-11)17-15(10-18)20-7-6-12(2)9-16(20)19-17/h4-5,8,12H,6-7,9-10,18H2,1-3H3
InChIKeyHCFIVTXTIHWTPP-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.21
Rot. Bonds2

About [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine

[2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 82123695) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID82123695
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name[2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine
SMILESCc1ccc(-c2nc3n(c2CN)CCC(C)C3)c(C)c1
InChIInChI=1S/C17H23N3/c1-11-4-5-14(13(3)8-11)17-15(10-18)20-7-6-12(2)9-16(20)19-17/h4-5,8,12H,6-7,9-10,18H2,1-3H3
InChIKeyHCFIVTXTIHWTPP-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine (CID 82123695) is [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine is Cc1ccc(-c2nc3n(c2CN)CCC(C)C3)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is HCFIVTXTIHWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-4-5-14(13(3)8-11)17-15(10-18)20-7-6-12(2)9-16(20)19-17/h4-5,8,12H,6-7,9-10,18H2,1-3H3.
What are the key properties of [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine?
[2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 82123695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).