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

C9H19NO — CID 58368199

IUPAC(1R)-1-(2,2-dimethyloxan-4-yl)ethanamine
SMILESC[C@@H](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/t7-,8?/m1/s1
InChIKeyQDHZEAFSTBQNHO-GVHYBUMESA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds1

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

(1R)-1-(2,2-dimethyloxan-4-yl)ethanamine (PubChem CID 58368199) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,2-dimethyloxan-4-yl)ethanamine
PubChem CID58368199
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(1R)-1-(2,2-dimethyloxan-4-yl)ethanamine
SMILESC[C@@H](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/t7-,8?/m1/s1
InChIKeyQDHZEAFSTBQNHO-GVHYBUMESA-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 (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine?
The IUPAC name of (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine (CID 58368199) is (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine.
What is the SMILES notation for (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine?
The canonical SMILES for (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine is C[C@@H](N)C1CCOC(C)(C)C1.
What is the InChIKey of (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine?
The InChIKey is QDHZEAFSTBQNHO-GVHYBUMESA-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/t7-,8?/m1/s1.
What are the key properties of (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine?
(1R)-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 (1R)-1-(2,2-dimethyloxan-4-yl)ethanamine is sourced from PubChem (CID 58368199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).