9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

C22H42N4O — CID 146322997

IUPAC9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)(C)N1CCN2CC(N3CC4COCC(C3)N4C(C)(C)C)CCC2C1
InChIInChI=1S/C22H42N4O/c1-21(2,3)25-10-9-23-11-17(7-8-18(23)14-25)24-12-19-15-27-16-20(13-24)26(19)22(4,5)6/h17-20H,7-16H2,1-6H3
InChIKeyHHNYIMDBMPFNMA-UHFFFAOYSA-N
MW378.61 g/mol
LogP2.12
Rot. Bonds1

About 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane

9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane (PubChem CID 146322997) has the molecular formula C22H42N4O and a molecular weight of 378.61 g/mol. Its IUPAC name is 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
PubChem CID146322997
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC Name9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane
SMILESCC(C)(C)N1CCN2CC(N3CC4COCC(C3)N4C(C)(C)C)CCC2C1
InChIInChI=1S/C22H42N4O/c1-21(2,3)25-10-9-23-11-17(7-8-18(23)14-25)24-12-19-15-27-16-20(13-24)26(19)22(4,5)6/h17-20H,7-16H2,1-6H3
InChIKeyHHNYIMDBMPFNMA-UHFFFAOYSA-N
XLogP2.12
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane with MolForge

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Related Compounds

2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
6-tert-butyl-3-(1-tert-butylazetidin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 171445186
2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
1-tert-butyl-4-(oxolan-3-yl)piperazine
CID 118531588
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
(1S,5R)-6-tert-butyl-3-oxa-6-azabicyclo[3.1.1]heptane
CID 129150641
1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830
1-tert-butyl-4-[1-(oxetan-3-yl)azetidin-3-yl]oxypiperidine
CID 171761936
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
(8aR)-2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 138720188
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
9-tert-butyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 21478745

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane (CID 146322997) is 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane is CC(C)(C)N1CCN2CC(N3CC4COCC(C3)N4C(C)(C)C)CCC2C1.
What is the InChIKey of 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
The InChIKey is HHNYIMDBMPFNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O/c1-21(2,3)25-10-9-23-11-17(7-8-18(23)14-25)24-12-19-15-27-16-20(13-24)26(19)22(4,5)6/h17-20H,7-16H2,1-6H3.
What are the key properties of 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane?
9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane has a molecular weight of 378.61 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-7-(2-tert-butyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 146322997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).