8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C18H28N2 — CID 62739794

IUPAC8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1ccc(C)cc1C
InChIInChI=1S/C18H28N2/c1-4-9-19-15-11-16-6-7-17(12-15)20(16)18-8-5-13(2)10-14(18)3/h5,8,10,15-17,19H,4,6-7,9,11-12H2,1-3H3
InChIKeyYKDAEHWIJLKRCW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.80
Rot. Bonds4

About 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739794) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739794
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2c1ccc(C)cc1C
InChIInChI=1S/C18H28N2/c1-4-9-19-15-11-16-6-7-17(12-15)20(16)18-8-5-13(2)10-14(18)3/h5,8,10,15-17,19H,4,6-7,9,11-12H2,1-3H3
InChIKeyYKDAEHWIJLKRCW-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739794) is 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2c1ccc(C)cc1C.
What is the InChIKey of 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YKDAEHWIJLKRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-9-19-15-11-16-6-7-17(12-15)20(16)18-8-5-13(2)10-14(18)3/h5,8,10,15-17,19H,4,6-7,9,11-12H2,1-3H3.
What are the key properties of 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).