N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine

C16H24N2 — CID 43687475

IUPACN-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCc1ccccc1NC1CN2CCC1CC2
InChIInChI=1S/C16H24N2/c1-2-5-13-6-3-4-7-15(13)17-16-12-18-10-8-14(16)9-11-18/h3-4,6-7,14,16-17H,2,5,8-12H2,1H3
InChIKeyWTFJYHXQKHZXLT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.15
Rot. Bonds4

About N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine

N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43687475) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43687475
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCCc1ccccc1NC1CN2CCC1CC2
InChIInChI=1S/C16H24N2/c1-2-5-13-6-3-4-7-15(13)17-16-12-18-10-8-14(16)9-11-18/h3-4,6-7,14,16-17H,2,5,8-12H2,1H3
InChIKeyWTFJYHXQKHZXLT-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 43687475) is N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine is CCCc1ccccc1NC1CN2CCC1CC2.
What is the InChIKey of N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is WTFJYHXQKHZXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-5-13-6-3-4-7-15(13)17-16-12-18-10-8-14(16)9-11-18/h3-4,6-7,14,16-17H,2,5,8-12H2,1H3.
What are the key properties of N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43687475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).