6-ethyl-N,N,4,4-tetramethyloxan-3-amine

C11H23NO — CID 90849076

IUPAC6-ethyl-N,N,4,4-tetramethyloxan-3-amine
SMILESCCC1CC(C)(C)C(N(C)C)CO1
InChIInChI=1S/C11H23NO/c1-6-9-7-11(2,3)10(8-13-9)12(4)5/h9-10H,6-8H2,1-5H3
InChIKeyPQKPIKINVDBZOH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds2

About 6-ethyl-N,N,4,4-tetramethyloxan-3-amine

6-ethyl-N,N,4,4-tetramethyloxan-3-amine (PubChem CID 90849076) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 6-ethyl-N,N,4,4-tetramethyloxan-3-amine.

Molecular Properties

Compound Name6-ethyl-N,N,4,4-tetramethyloxan-3-amine
PubChem CID90849076
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name6-ethyl-N,N,4,4-tetramethyloxan-3-amine
SMILESCCC1CC(C)(C)C(N(C)C)CO1
InChIInChI=1S/C11H23NO/c1-6-9-7-11(2,3)10(8-13-9)12(4)5/h9-10H,6-8H2,1-5H3
InChIKeyPQKPIKINVDBZOH-UHFFFAOYSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N,N,4,4-tetramethyloxan-3-amine?
The IUPAC name of 6-ethyl-N,N,4,4-tetramethyloxan-3-amine (CID 90849076) is 6-ethyl-N,N,4,4-tetramethyloxan-3-amine.
What is the SMILES notation for 6-ethyl-N,N,4,4-tetramethyloxan-3-amine?
The canonical SMILES for 6-ethyl-N,N,4,4-tetramethyloxan-3-amine is CCC1CC(C)(C)C(N(C)C)CO1.
What is the InChIKey of 6-ethyl-N,N,4,4-tetramethyloxan-3-amine?
The InChIKey is PQKPIKINVDBZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-9-7-11(2,3)10(8-13-9)12(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 6-ethyl-N,N,4,4-tetramethyloxan-3-amine?
6-ethyl-N,N,4,4-tetramethyloxan-3-amine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N,N,4,4-tetramethyloxan-3-amine is sourced from PubChem (CID 90849076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).