N,2,3,6-tetramethyloxan-4-amine

C9H19NO — CID 59892957

IUPACN,2,3,6-tetramethyloxan-4-amine
SMILESCNC1CC(C)OC(C)C1C
InChIInChI=1S/C9H19NO/c1-6-5-9(10-4)7(2)8(3)11-6/h6-10H,5H2,1-4H3
InChIKeyFLKDFXBTHQCETL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds1

About N,2,3,6-tetramethyloxan-4-amine

N,2,3,6-tetramethyloxan-4-amine (PubChem CID 59892957) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N,2,3,6-tetramethyloxan-4-amine.

Molecular Properties

Compound NameN,2,3,6-tetramethyloxan-4-amine
PubChem CID59892957
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN,2,3,6-tetramethyloxan-4-amine
SMILESCNC1CC(C)OC(C)C1C
InChIInChI=1S/C9H19NO/c1-6-5-9(10-4)7(2)8(3)11-6/h6-10H,5H2,1-4H3
InChIKeyFLKDFXBTHQCETL-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,3,6-tetramethyloxan-4-amine?
The IUPAC name of N,2,3,6-tetramethyloxan-4-amine (CID 59892957) is N,2,3,6-tetramethyloxan-4-amine.
What is the SMILES notation for N,2,3,6-tetramethyloxan-4-amine?
The canonical SMILES for N,2,3,6-tetramethyloxan-4-amine is CNC1CC(C)OC(C)C1C.
What is the InChIKey of N,2,3,6-tetramethyloxan-4-amine?
The InChIKey is FLKDFXBTHQCETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-5-9(10-4)7(2)8(3)11-6/h6-10H,5H2,1-4H3.
What are the key properties of N,2,3,6-tetramethyloxan-4-amine?
N,2,3,6-tetramethyloxan-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,6-tetramethyloxan-4-amine is sourced from PubChem (CID 59892957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).