(2S,3S)-2-propan-2-yloxan-3-amine

C8H17NO — CID 90132843

IUPAC(2S,3S)-2-propan-2-yloxan-3-amine
SMILESCC(C)[C@@H]1OCCC[C@@H]1N
InChIInChI=1S/C8H17NO/c1-6(2)8-7(9)4-3-5-10-8/h6-8H,3-5,9H2,1-2H3/t7-,8-/m0/s1
InChIKeyCBOZYZLOSKLJLW-YUMQZZPRSA-N
MW143.23 g/mol
LogP1.15
Rot. Bonds1

About (2S,3S)-2-propan-2-yloxan-3-amine

(2S,3S)-2-propan-2-yloxan-3-amine (PubChem CID 90132843) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S,3S)-2-propan-2-yloxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-propan-2-yloxan-3-amine
PubChem CID90132843
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S,3S)-2-propan-2-yloxan-3-amine
SMILESCC(C)[C@@H]1OCCC[C@@H]1N
InChIInChI=1S/C8H17NO/c1-6(2)8-7(9)4-3-5-10-8/h6-8H,3-5,9H2,1-2H3/t7-,8-/m0/s1
InChIKeyCBOZYZLOSKLJLW-YUMQZZPRSA-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 (2S,3S)-2-propan-2-yloxan-3-amine?
The IUPAC name of (2S,3S)-2-propan-2-yloxan-3-amine (CID 90132843) is (2S,3S)-2-propan-2-yloxan-3-amine.
What is the SMILES notation for (2S,3S)-2-propan-2-yloxan-3-amine?
The canonical SMILES for (2S,3S)-2-propan-2-yloxan-3-amine is CC(C)[C@@H]1OCCC[C@@H]1N.
What is the InChIKey of (2S,3S)-2-propan-2-yloxan-3-amine?
The InChIKey is CBOZYZLOSKLJLW-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(2)8-7(9)4-3-5-10-8/h6-8H,3-5,9H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-propan-2-yloxan-3-amine?
(2S,3S)-2-propan-2-yloxan-3-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 (2S,3S)-2-propan-2-yloxan-3-amine is sourced from PubChem (CID 90132843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).