2-(3,3-dimethyloxan-2-yl)ethanamine

C9H19NO — CID 138040784

IUPAC2-(3,3-dimethyloxan-2-yl)ethanamine
SMILESCC1(C)CCCOC1CCN
InChIInChI=1S/C9H19NO/c1-9(2)5-3-7-11-8(9)4-6-10/h8H,3-7,10H2,1-2H3
InChIKeyOJHFXJYQQCFGOQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds2

About 2-(3,3-dimethyloxan-2-yl)ethanamine

2-(3,3-dimethyloxan-2-yl)ethanamine (PubChem CID 138040784) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(3,3-dimethyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethyloxan-2-yl)ethanamine
PubChem CID138040784
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(3,3-dimethyloxan-2-yl)ethanamine
SMILESCC1(C)CCCOC1CCN
InChIInChI=1S/C9H19NO/c1-9(2)5-3-7-11-8(9)4-6-10/h8H,3-7,10H2,1-2H3
InChIKeyOJHFXJYQQCFGOQ-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyloxan-2-yl)ethanamine?
The IUPAC name of 2-(3,3-dimethyloxan-2-yl)ethanamine (CID 138040784) is 2-(3,3-dimethyloxan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethyloxan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3-dimethyloxan-2-yl)ethanamine is CC1(C)CCCOC1CCN.
What is the InChIKey of 2-(3,3-dimethyloxan-2-yl)ethanamine?
The InChIKey is OJHFXJYQQCFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)5-3-7-11-8(9)4-6-10/h8H,3-7,10H2,1-2H3.
What are the key properties of 2-(3,3-dimethyloxan-2-yl)ethanamine?
2-(3,3-dimethyloxan-2-yl)ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyloxan-2-yl)ethanamine is sourced from PubChem (CID 138040784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).