3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

C17H31N — CID 22923627

IUPAC3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CN(CCC3CCCC3)C1)C2(C)C
InChIInChI=1S/C17H31N/c1-16(2)15-8-10-17(16,3)13-18(12-15)11-9-14-6-4-5-7-14/h14-15H,4-13H2,1-3H3
InChIKeyYMPBLRYDNWOVHM-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.32
Rot. Bonds3

About 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane

3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (PubChem CID 22923627) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
PubChem CID22923627
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
SMILESCC12CCC(CN(CCC3CCCC3)C1)C2(C)C
InChIInChI=1S/C17H31N/c1-16(2)15-8-10-17(16,3)13-18(12-15)11-9-14-6-4-5-7-14/h14-15H,4-13H2,1-3H3
InChIKeyYMPBLRYDNWOVHM-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane (CID 22923627) is 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is CC12CCC(CN(CCC3CCCC3)C1)C2(C)C.
What is the InChIKey of 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
The InChIKey is YMPBLRYDNWOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-16(2)15-8-10-17(16,3)13-18(12-15)11-9-14-6-4-5-7-14/h14-15H,4-13H2,1-3H3.
What are the key properties of 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane?
3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane has a molecular weight of 249.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethyl)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 22923627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).