(5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine

C15H27NO — CID 42630324

IUPAC(5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine
SMILESCCN(CC)C12C[C@@H]3C[C@@H](CC(CC)(C3)O1)C2
InChIInChI=1S/C15H27NO/c1-4-14-8-12-7-13(9-14)11-15(10-12,17-14)16(5-2)6-3/h12-13H,4-11H2,1-3H3/t12-,13+,14?,15?
InChIKeyKGDKJEMGFLSUBU-DGKWVBSXSA-N
MW237.39 g/mol
LogP3.41
Rot. Bonds4

About (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine

(5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine (PubChem CID 42630324) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine.

Molecular Properties

Compound Name(5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine
PubChem CID42630324
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine
SMILESCCN(CC)C12C[C@@H]3C[C@@H](CC(CC)(C3)O1)C2
InChIInChI=1S/C15H27NO/c1-4-14-8-12-7-13(9-14)11-15(10-12,17-14)16(5-2)6-3/h12-13H,4-11H2,1-3H3/t12-,13+,14?,15?
InChIKeyKGDKJEMGFLSUBU-DGKWVBSXSA-N
XLogP3.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine?
The IUPAC name of (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine (CID 42630324) is (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine.
What is the SMILES notation for (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine?
The canonical SMILES for (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine is CCN(CC)C12C[C@@H]3C[C@@H](CC(CC)(C3)O1)C2.
What is the InChIKey of (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine?
The InChIKey is KGDKJEMGFLSUBU-DGKWVBSXSA-N. The full InChI is InChI=1S/C15H27NO/c1-4-14-8-12-7-13(9-14)11-15(10-12,17-14)16(5-2)6-3/h12-13H,4-11H2,1-3H3/t12-,13+,14?,15?.
What are the key properties of (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine?
(5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N,N,3-triethyl-2-oxatricyclo[3.3.1.13,7]decan-1-amine is sourced from PubChem (CID 42630324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).