N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine

C16H30N2O — CID 64862857

IUPACN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2C3CCCOC3C2(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-18-9-5-7-12(11-18)17-14-13-8-6-10-19-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyUQQFTUWAJQCMJM-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.26
Rot. Bonds3

About N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine

N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine (PubChem CID 64862857) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine.

Molecular Properties

Compound NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine
PubChem CID64862857
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine
SMILESCCN1CCCC(NC2C3CCCOC3C2(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-18-9-5-7-12(11-18)17-14-13-8-6-10-19-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3
InChIKeyUQQFTUWAJQCMJM-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine?
The IUPAC name of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine (CID 64862857) is N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine.
What is the SMILES notation for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine?
The canonical SMILES for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine is CCN1CCCC(NC2C3CCCOC3C2(C)C)C1.
What is the InChIKey of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine?
The InChIKey is UQQFTUWAJQCMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-18-9-5-7-12(11-18)17-14-13-8-6-10-19-15(13)16(14,2)3/h12-15,17H,4-11H2,1-3H3.
What are the key properties of N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine?
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine has a molecular weight of 266.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-1-ethylpiperidin-3-amine is sourced from PubChem (CID 64862857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).