8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C17H26N2 — CID 55150209

IUPAC8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cc(C)c(CN2C3CCC2CC(N)C3)c(C)c1
InChIInChI=1S/C17H26N2/c1-11-6-12(2)17(13(3)7-11)10-19-15-4-5-16(19)9-14(18)8-15/h6-7,14-16H,4-5,8-10,18H2,1-3H3
InChIKeyGAHQVZQLHBIMPY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.07
Rot. Bonds2

About 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55150209) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55150209
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cc(C)c(CN2C3CCC2CC(N)C3)c(C)c1
InChIInChI=1S/C17H26N2/c1-11-6-12(2)17(13(3)7-11)10-19-15-4-5-16(19)9-14(18)8-15/h6-7,14-16H,4-5,8-10,18H2,1-3H3
InChIKeyGAHQVZQLHBIMPY-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 55150209) is 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1cc(C)c(CN2C3CCC2CC(N)C3)c(C)c1.
What is the InChIKey of 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GAHQVZQLHBIMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-11-6-12(2)17(13(3)7-11)10-19-15-4-5-16(19)9-14(18)8-15/h6-7,14-16H,4-5,8-10,18H2,1-3H3.
What are the key properties of 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,4,6-trimethylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55150209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).