1-(2,2-dimethyloxan-4-yl)ethanamine

C9H19NO — CID 66439165

IUPAC1-(2,2-dimethyloxan-4-yl)ethanamine
SMILESCC(N)C1CCOC(C)(C)C1
InChIInChI=1S/C9H19NO/c1-7(10)8-4-5-11-9(2,3)6-8/h7-8H,4-6,10H2,1-3H3
InChIKeyQDHZEAFSTBQNHO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds1

About 1-(2,2-dimethyloxan-4-yl)ethanamine

1-(2,2-dimethyloxan-4-yl)ethanamine (PubChem CID 66439165) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)ethanamine
PubChem CID66439165
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(2,2-dimethyloxan-4-yl)ethanamine
SMILESCC(N)C1CCOC(C)(C)C1
InChIInChI=1S/C9H19NO/c1-7(10)8-4-5-11-9(2,3)6-8/h7-8H,4-6,10H2,1-3H3
InChIKeyQDHZEAFSTBQNHO-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)ethanamine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)ethanamine (CID 66439165) is 1-(2,2-dimethyloxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)ethanamine is CC(N)C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)ethanamine?
The InChIKey is QDHZEAFSTBQNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(10)8-4-5-11-9(2,3)6-8/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)ethanamine?
1-(2,2-dimethyloxan-4-yl)ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)ethanamine is sourced from PubChem (CID 66439165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).