(2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol

C8H18N2O2 — CID 148861942

IUPAC(2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol
SMILESCCNC[C@@H]1CC[C@@H](N)[C@@H](O)O1
InChIInChI=1S/C8H18N2O2/c1-2-10-5-6-3-4-7(9)8(11)12-6/h6-8,10-11H,2-5,9H2,1H3/t6-,7+,8-/m0/s1
InChIKeyOZMVEMLBJKAHCX-RNJXMRFFSA-N
MW174.24 g/mol
LogP-0.58
Rot. Bonds3

About (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol

(2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol (PubChem CID 148861942) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol.

Molecular Properties

Compound Name(2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol
PubChem CID148861942
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name(2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol
SMILESCCNC[C@@H]1CC[C@@H](N)[C@@H](O)O1
InChIInChI=1S/C8H18N2O2/c1-2-10-5-6-3-4-7(9)8(11)12-6/h6-8,10-11H,2-5,9H2,1H3/t6-,7+,8-/m0/s1
InChIKeyOZMVEMLBJKAHCX-RNJXMRFFSA-N
XLogP-0.58
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol?
The IUPAC name of (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol (CID 148861942) is (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol.
What is the SMILES notation for (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol?
The canonical SMILES for (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol is CCNC[C@@H]1CC[C@@H](N)[C@@H](O)O1.
What is the InChIKey of (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol?
The InChIKey is OZMVEMLBJKAHCX-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-2-10-5-6-3-4-7(9)8(11)12-6/h6-8,10-11H,2-5,9H2,1H3/t6-,7+,8-/m0/s1.
What are the key properties of (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol?
(2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol has a molecular weight of 174.24 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6S)-3-amino-6-(ethylaminomethyl)oxan-2-ol is sourced from PubChem (CID 148861942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).