(2R,3S)-3-ethyl-2-methyloxan-4-amine

C8H17NO — CID 118566491

IUPAC(2R,3S)-3-ethyl-2-methyloxan-4-amine
SMILESCC[C@H]1C(N)CCO[C@@H]1C
InChIInChI=1S/C8H17NO/c1-3-7-6(2)10-5-4-8(7)9/h6-8H,3-5,9H2,1-2H3/t6-,7-,8?/m1/s1
InChIKeyLBNWJWFGPWULEW-GCJDJSOWSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About (2R,3S)-3-ethyl-2-methyloxan-4-amine

(2R,3S)-3-ethyl-2-methyloxan-4-amine (PubChem CID 118566491) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2R,3S)-3-ethyl-2-methyloxan-4-amine.

Molecular Properties

Compound Name(2R,3S)-3-ethyl-2-methyloxan-4-amine
PubChem CID118566491
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2R,3S)-3-ethyl-2-methyloxan-4-amine
SMILESCC[C@H]1C(N)CCO[C@@H]1C
InChIInChI=1S/C8H17NO/c1-3-7-6(2)10-5-4-8(7)9/h6-8H,3-5,9H2,1-2H3/t6-,7-,8?/m1/s1
InChIKeyLBNWJWFGPWULEW-GCJDJSOWSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-ethyl-2-methyloxan-4-amine?
The IUPAC name of (2R,3S)-3-ethyl-2-methyloxan-4-amine (CID 118566491) is (2R,3S)-3-ethyl-2-methyloxan-4-amine.
What is the SMILES notation for (2R,3S)-3-ethyl-2-methyloxan-4-amine?
The canonical SMILES for (2R,3S)-3-ethyl-2-methyloxan-4-amine is CC[C@H]1C(N)CCO[C@@H]1C.
What is the InChIKey of (2R,3S)-3-ethyl-2-methyloxan-4-amine?
The InChIKey is LBNWJWFGPWULEW-GCJDJSOWSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-7-6(2)10-5-4-8(7)9/h6-8H,3-5,9H2,1-2H3/t6-,7-,8?/m1/s1.
What are the key properties of (2R,3S)-3-ethyl-2-methyloxan-4-amine?
(2R,3S)-3-ethyl-2-methyloxan-4-amine has a molecular weight of 143.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-ethyl-2-methyloxan-4-amine is sourced from PubChem (CID 118566491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).