6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C16H30N2O — CID 114947307

IUPAC6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCC1CCCN(CC2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-12-6-5-8-18(10-12)11-16(17)13-7-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyCZWOMEQPPBBVDQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.25
Rot. Bonds3

About 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114947307) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114947307
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCC1CCCN(CC2(N)C3CCOC3C2(C)C)C1
InChIInChI=1S/C16H30N2O/c1-4-12-6-5-8-18(10-12)11-16(17)13-7-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyCZWOMEQPPBBVDQ-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114947307) is 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCC1CCCN(CC2(N)C3CCOC3C2(C)C)C1.
What is the InChIKey of 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is CZWOMEQPPBBVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-12-6-5-8-18(10-12)11-16(17)13-7-9-19-14(13)15(16,2)3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 266.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylpiperidin-1-yl)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114947307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).