8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C16H24N2 — CID 62739466

IUPAC8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1cccc(C)c1N1C2CCC1CC(N)C2
InChIInChI=1S/C16H24N2/c1-3-12-6-4-5-11(2)16(12)18-14-7-8-15(18)10-13(17)9-14/h4-6,13-15H,3,7-10,17H2,1-2H3
InChIKeyMRXRJEDOADGERH-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.02
Rot. Bonds2

About 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739466) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739466
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1cccc(C)c1N1C2CCC1CC(N)C2
InChIInChI=1S/C16H24N2/c1-3-12-6-4-5-11(2)16(12)18-14-7-8-15(18)10-13(17)9-14/h4-6,13-15H,3,7-10,17H2,1-2H3
InChIKeyMRXRJEDOADGERH-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739466) is 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is CCc1cccc(C)c1N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MRXRJEDOADGERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-12-6-4-5-11(2)16(12)18-14-7-8-15(18)10-13(17)9-14/h4-6,13-15H,3,7-10,17H2,1-2H3.
What are the key properties of 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).