2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine

C9H19NO — CID 59821310

IUPAC2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine
SMILESC[C@@H]1C[C@@H](CCN)O[C@@H](C)C1
InChIInChI=1S/C9H19NO/c1-7-5-8(2)11-9(6-7)3-4-10/h7-9H,3-6,10H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyCWQWNWJSQJTUEW-XHNCKOQMSA-N
MW157.26 g/mol
LogP1.54
Rot. Bonds2

About 2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine

2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine (PubChem CID 59821310) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine
PubChem CID59821310
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine
SMILESC[C@@H]1C[C@@H](CCN)O[C@@H](C)C1
InChIInChI=1S/C9H19NO/c1-7-5-8(2)11-9(6-7)3-4-10/h7-9H,3-6,10H2,1-2H3/t7-,8-,9+/m0/s1
InChIKeyCWQWNWJSQJTUEW-XHNCKOQMSA-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-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine?
The IUPAC name of 2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine (CID 59821310) is 2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine?
The canonical SMILES for 2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine is C[C@@H]1C[C@@H](CCN)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine?
The InChIKey is CWQWNWJSQJTUEW-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-5-8(2)11-9(6-7)3-4-10/h7-9H,3-6,10H2,1-2H3/t7-,8-,9+/m0/s1.
What are the key properties of 2-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine?
2-[(2S,4S,6S)-4,6-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-[(2S,4S,6S)-4,6-dimethyloxan-2-yl]ethanamine is sourced from PubChem (CID 59821310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).