2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C15H25N3O2 — CID 64859127

IUPAC2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CC1COCCO1)CCNC2
InChIInChI=1S/C15H25N3O2/c1-15(2,3)14-17-12-8-16-5-4-13(12)18(14)9-11-10-19-6-7-20-11/h11,16H,4-10H2,1-3H3
InChIKeyMFSIXDMPBFPKOJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.24
Rot. Bonds2

About 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64859127) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64859127
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CC1COCCO1)CCNC2
InChIInChI=1S/C15H25N3O2/c1-15(2,3)14-17-12-8-16-5-4-13(12)18(14)9-11-10-19-6-7-20-11/h11,16H,4-10H2,1-3H3
InChIKeyMFSIXDMPBFPKOJ-UHFFFAOYSA-N
XLogP1.24
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64859127) is 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is CC(C)(C)c1nc2c(n1CC1COCCO1)CCNC2.
What is the InChIKey of 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MFSIXDMPBFPKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2,3)14-17-12-8-16-5-4-13(12)18(14)9-11-10-19-6-7-20-11/h11,16H,4-10H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 279.38 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(1,4-dioxan-2-ylmethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64859127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).