N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

C22H31N3 — CID 166329417

IUPACN-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCCC(NC1CCc2nc(-c3ccccc3)cn2C1)C1CCCCC1
InChIInChI=1S/C22H31N3/c1-2-20(17-9-5-3-6-10-17)23-19-13-14-22-24-21(16-25(22)15-19)18-11-7-4-8-12-18/h4,7-8,11-12,16-17,19-20,23H,2-3,5-6,9-10,13-15H2,1H3
InChIKeyJVYCAIGUNGYYRU-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.81
Rot. Bonds5

About N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine

N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (PubChem CID 166329417) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
PubChem CID166329417
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC NameN-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine
SMILESCCC(NC1CCc2nc(-c3ccccc3)cn2C1)C1CCCCC1
InChIInChI=1S/C22H31N3/c1-2-20(17-9-5-3-6-10-17)23-19-13-14-22-24-21(16-25(22)15-19)18-11-7-4-8-12-18/h4,7-8,11-12,16-17,19-20,23H,2-3,5-6,9-10,13-15H2,1H3
InChIKeyJVYCAIGUNGYYRU-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine (CID 166329417) is N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is CCC(NC1CCc2nc(-c3ccccc3)cn2C1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
The InChIKey is JVYCAIGUNGYYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-2-20(17-9-5-3-6-10-17)23-19-13-14-22-24-21(16-25(22)15-19)18-11-7-4-8-12-18/h4,7-8,11-12,16-17,19-20,23H,2-3,5-6,9-10,13-15H2,1H3.
What are the key properties of N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine?
N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine has a molecular weight of 337.51 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 166329417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).