2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine

C13H21N3O — CID 117157985

IUPAC2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
SMILESNC1CCCn2cc(CC3CCCOC3)nc21
InChIInChI=1S/C13H21N3O/c14-12-4-1-5-16-8-11(15-13(12)16)7-10-3-2-6-17-9-10/h8,10,12H,1-7,9,14H2
InChIKeyFNVBHJDZCZTNEC-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.65
Rot. Bonds2

About 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine

2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine (PubChem CID 117157985) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
PubChem CID117157985
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
SMILESNC1CCCn2cc(CC3CCCOC3)nc21
InChIInChI=1S/C13H21N3O/c14-12-4-1-5-16-8-11(15-13(12)16)7-10-3-2-6-17-9-10/h8,10,12H,1-7,9,14H2
InChIKeyFNVBHJDZCZTNEC-UHFFFAOYSA-N
XLogP1.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine (CID 117157985) is 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine is NC1CCCn2cc(CC3CCCOC3)nc21.
What is the InChIKey of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
The InChIKey is FNVBHJDZCZTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c14-12-4-1-5-16-8-11(15-13(12)16)7-10-3-2-6-17-9-10/h8,10,12H,1-7,9,14H2.
What are the key properties of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine?
2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine has a molecular weight of 235.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 117157985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).