N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine

C16H24N2 — CID 60924563

IUPACN-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cc(C)c(NC2CN3CCC2CC3)c(C)c1
InChIInChI=1S/C16H24N2/c1-11-8-12(2)16(13(3)9-11)17-15-10-18-6-4-14(15)5-7-18/h8-9,14-15,17H,4-7,10H2,1-3H3
InChIKeyIFUIWPQTVVLMAX-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.12
Rot. Bonds2

About N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 60924563) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID60924563
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cc(C)c(NC2CN3CCC2CC3)c(C)c1
InChIInChI=1S/C16H24N2/c1-11-8-12(2)16(13(3)9-11)17-15-10-18-6-4-14(15)5-7-18/h8-9,14-15,17H,4-7,10H2,1-3H3
InChIKeyIFUIWPQTVVLMAX-UHFFFAOYSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4,6-trimethylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195096
N-(5-methyl-3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 107584928
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-methylbenzonitrile
CID 107106362
(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 170444097
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-3-methylbenzene-1,2-diamine
CID 114041152
N-(2,4,5-trifluorophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55210890
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63448629
(1S)-2-(2,4,6-trimethylanilino)cyclopentan-1-ol
CID 143208834
N-(4-ethoxy-2-methylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 60936279
3-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-methylbenzenesulfonamide
CID 43744289
N-(6-hydrazinylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 80942875
N-(4-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43732240

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 60924563) is N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine is Cc1cc(C)c(NC2CN3CCC2CC3)c(C)c1.
What is the InChIKey of N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is IFUIWPQTVVLMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-8-12(2)16(13(3)9-11)17-15-10-18-6-4-14(15)5-7-18/h8-9,14-15,17H,4-7,10H2,1-3H3.
What are the key properties of N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethylphenyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 60924563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).