8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H32N2O — CID 55237419

IUPAC8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNCC(CC)(CC)CN1C2CCC1CC(O)C2
InChIInChI=1S/C16H32N2O/c1-4-16(5-2,11-17-6-3)12-18-13-7-8-14(18)10-15(19)9-13/h13-15,17,19H,4-12H2,1-3H3
InChIKeyVDEZQWRWYJCZDQ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.39
Rot. Bonds7

About 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237419) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237419
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNCC(CC)(CC)CN1C2CCC1CC(O)C2
InChIInChI=1S/C16H32N2O/c1-4-16(5-2,11-17-6-3)12-18-13-7-8-14(18)10-15(19)9-13/h13-15,17,19H,4-12H2,1-3H3
InChIKeyVDEZQWRWYJCZDQ-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55237419) is 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol is CCNCC(CC)(CC)CN1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is VDEZQWRWYJCZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-16(5-2,11-17-6-3)12-18-13-7-8-14(18)10-15(19)9-13/h13-15,17,19H,4-12H2,1-3H3.
What are the key properties of 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 268.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).