8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane

C16H24N2 — CID 169288841

IUPAC8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)c1cccc(N2CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H24N2/c1-12(2)13-5-4-6-14(9-13)18-10-15-7-8-16(11-18)17(15)3/h4-6,9,12,15-16H,7-8,10-11H2,1-3H3
InChIKeyPIUQXUMFQXWHOI-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.09
Rot. Bonds2

About 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane

8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 169288841) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID169288841
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)c1cccc(N2CC3CCC(C2)N3C)c1
InChIInChI=1S/C16H24N2/c1-12(2)13-5-4-6-14(9-13)18-10-15-7-8-16(11-18)17(15)3/h4-6,9,12,15-16H,7-8,10-11H2,1-3H3
InChIKeyPIUQXUMFQXWHOI-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(3-propan-2-ylphenyl)piperidine
CID 165121154
3-methoxy-1-(3-propan-2-ylphenyl)pyrrolidine
CID 167341236
3-methyl-1-(3-propan-2-ylphenyl)piperazine
CID 20814161
1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
CID 118968940
2-(3-propan-2-ylphenyl)-2-azaspiro[3.3]heptane
CID 170688085
2-methyl-5-(3-propan-2-ylphenyl)-2,5-diazabicyclo[2.2.1]heptane
CID 169288848
4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline
CID 155146967
1-(3-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 174980645
[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol
CID 164779205
1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine;1-(3-propan-2-ylphenyl)pyrrolidine
CID 156851276
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol
CID 155687266

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane (CID 169288841) is 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane is CC(C)c1cccc(N2CC3CCC(C2)N3C)c1.
What is the InChIKey of 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is PIUQXUMFQXWHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)13-5-4-6-14(9-13)18-10-15-7-8-16(11-18)17(15)3/h4-6,9,12,15-16H,7-8,10-11H2,1-3H3.
What are the key properties of 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane?
8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 244.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 169288841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).