2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine

C14H24N4O — CID 66391495

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine
SMILESCCCn1cncc1C(CN)N1CC2CCC(C1)O2
InChIInChI=1S/C14H24N4O/c1-2-5-17-10-16-7-14(17)13(6-15)18-8-11-3-4-12(9-18)19-11/h7,10-13H,2-6,8-9,15H2,1H3
InChIKeyXFWDAOJRCXLYSJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.16
Rot. Bonds5

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine (PubChem CID 66391495) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine
PubChem CID66391495
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine
SMILESCCCn1cncc1C(CN)N1CC2CCC(C1)O2
InChIInChI=1S/C14H24N4O/c1-2-5-17-10-16-7-14(17)13(6-15)18-8-11-3-4-12(9-18)19-11/h7,10-13H,2-6,8-9,15H2,1H3
InChIKeyXFWDAOJRCXLYSJ-UHFFFAOYSA-N
XLogP1.16
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine (CID 66391495) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine is CCCn1cncc1C(CN)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine?
The InChIKey is XFWDAOJRCXLYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-5-17-10-16-7-14(17)13(6-15)18-8-11-3-4-12(9-18)19-11/h7,10-13H,2-6,8-9,15H2,1H3.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(3-propylimidazol-4-yl)ethanamine is sourced from PubChem (CID 66391495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).