3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

C12H23NO — CID 59389168

IUPAC3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC1(O)CC2CCC(C1)N2C(C)C
InChIInChI=1S/C12H23NO/c1-4-12(14)7-10-5-6-11(8-12)13(10)9(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyCKGCLOYMSRMCQZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.16
Rot. Bonds2

About 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol

3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 59389168) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID59389168
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC1(O)CC2CCC(C1)N2C(C)C
InChIInChI=1S/C12H23NO/c1-4-12(14)7-10-5-6-11(8-12)13(10)9(2)3/h9-11,14H,4-8H2,1-3H3
InChIKeyCKGCLOYMSRMCQZ-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol (CID 59389168) is 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is CCC1(O)CC2CCC(C1)N2C(C)C.
What is the InChIKey of 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is CKGCLOYMSRMCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-12(14)7-10-5-6-11(8-12)13(10)9(2)3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol?
3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 59389168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).