4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)

C31H61N5O — CID 163434619

IUPAC4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)
SMILESCC(C)N1CC2CC1CO2.CC(C)N1CCCCC1.CC(C)N1CCCCC1.Cc1cn(C(C)C)cn1
InChIInChI=1S/C8H15NO.2C8H17N.C7H12N2/c1-6(2)9-4-8-3-7(9)5-10-8;2*1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-7(3)8-5-9/h6-8H,3-5H2,1-2H3;2*8H,3-7H2,1-2H3;4-6H,1-3H3
InChIKeyATJUCKQBSWGRQZ-UHFFFAOYSA-N
MW519.86 g/mol
LogP6.40
Rot. Bonds4

About 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)

4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine) (PubChem CID 163434619) has the molecular formula C31H61N5O and a molecular weight of 519.86 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine).

Molecular Properties

Compound Name4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)
PubChem CID163434619
Molecular FormulaC31H61N5O
Molecular Weight519.86 g/mol
Exact Mass519.49
IUPAC Name4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)
SMILESCC(C)N1CC2CC1CO2.CC(C)N1CCCCC1.CC(C)N1CCCCC1.Cc1cn(C(C)C)cn1
InChIInChI=1S/C8H15NO.2C8H17N.C7H12N2/c1-6(2)9-4-8-3-7(9)5-10-8;2*1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-7(3)8-5-9/h6-8H,3-5H2,1-2H3;2*8H,3-7H2,1-2H3;4-6H,1-3H3
InChIKeyATJUCKQBSWGRQZ-UHFFFAOYSA-N
XLogP6.40
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.86
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)ethanamine
CID 170122043
1-[(1-propan-2-ylimidazol-4-yl)methyl]piperidine
CID 117191786
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126892405
(1S,4S)-N-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptan-5-amine
CID 167428243
4-cyclohexyl-1-propan-2-ylimidazole
CID 140925380
1-propan-2-ylazepane;1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 176703713
2-(5-methyl-1H-pyrazol-3-yl)-3-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazine
CID 110101517
(1S,4S)-7-tert-butyl-5-propan-2-yl-2-oxa-5-azabicyclo[2.2.2]octane
CID 177267260
ethene;1-propan-2-ylpiperidine
CID 177325228
4-chloro-1-propan-2-ylimidazole
CID 118180272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)?
The IUPAC name of 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine) (CID 163434619) is 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine).
What is the SMILES notation for 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)?
The canonical SMILES for 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine) is CC(C)N1CC2CC1CO2.CC(C)N1CCCCC1.CC(C)N1CCCCC1.Cc1cn(C(C)C)cn1.
What is the InChIKey of 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)?
The InChIKey is ATJUCKQBSWGRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.2C8H17N.C7H12N2/c1-6(2)9-4-8-3-7(9)5-10-8;2*1-8(2)9-6-4-3-5-7-9;1-6(2)9-4-7(3)8-5-9/h6-8H,3-5H2,1-2H3;2*8H,3-7H2,1-2H3;4-6H,1-3H3.
What are the key properties of 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine)?
4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine) has a molecular weight of 519.86 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylimidazole;5-propan-2-yl-2-oxa-5-azabicyclo[2.2.1]heptane;bis(1-propan-2-ylpiperidine) is sourced from PubChem (CID 163434619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).