8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine

C16H30N2O — CID 64862859

IUPAC8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCCN2CCCCC2)C2CCCOC21
InChIInChI=1S/C16H30N2O/c1-16(2)14(13-7-6-12-19-15(13)16)17-8-11-18-9-4-3-5-10-18/h13-15,17H,3-12H2,1-2H3
InChIKeySNPPAJATWNRUOF-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds4

About 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64862859) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64862859
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCCN2CCCCC2)C2CCCOC21
InChIInChI=1S/C16H30N2O/c1-16(2)14(13-7-6-12-19-15(13)16)17-8-11-18-9-4-3-5-10-18/h13-15,17H,3-12H2,1-2H3
InChIKeySNPPAJATWNRUOF-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine (CID 64862859) is 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NCCN2CCCCC2)C2CCCOC21.
What is the InChIKey of 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is SNPPAJATWNRUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2)14(13-7-6-12-19-15(13)16)17-8-11-18-9-4-3-5-10-18/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 266.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-(2-piperidin-1-ylethyl)-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64862859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).