N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine

C19H29N5O — CID 71872757

IUPACN-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(NCC1CCCn2cc(C(C)(C)C)nc21)c1nc(C2CC2)no1
InChIInChI=1S/C19H29N5O/c1-12(18-22-16(23-25-18)13-7-8-13)20-10-14-6-5-9-24-11-15(19(2,3)4)21-17(14)24/h11-14,20H,5-10H2,1-4H3
InChIKeyHISGDSNTYICREI-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.67
Rot. Bonds5

About N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine

N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 71872757) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID71872757
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC(NCC1CCCn2cc(C(C)(C)C)nc21)c1nc(C2CC2)no1
InChIInChI=1S/C19H29N5O/c1-12(18-22-16(23-25-18)13-7-8-13)20-10-14-6-5-9-24-11-15(19(2,3)4)21-17(14)24/h11-14,20H,5-10H2,1-4H3
InChIKeyHISGDSNTYICREI-UHFFFAOYSA-N
XLogP3.67
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 71872757) is N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine is CC(NCC1CCCn2cc(C(C)(C)C)nc21)c1nc(C2CC2)no1.
What is the InChIKey of N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is HISGDSNTYICREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-12(18-22-16(23-25-18)13-7-8-13)20-10-14-6-5-9-24-11-15(19(2,3)4)21-17(14)24/h11-14,20H,5-10H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 343.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 71872757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).