(3R,4R)-oxolane-3,4-diamine

C4H10N2O — CID 14171650

IUPAC(3R,4R)-oxolane-3,4-diamine
SMILESN[C@H]1COC[C@@H]1N
InChIInChI=1S/C4H10N2O/c5-3-1-7-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m0/s1
InChIKeyVPSJSRRUXSUNFA-IMJSIDKUSA-N
MW102.14 g/mol
LogP-1.33
Rot. Bonds

About (3R,4R)-oxolane-3,4-diamine

(3R,4R)-oxolane-3,4-diamine (PubChem CID 14171650) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is (3R,4R)-oxolane-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-oxolane-3,4-diamine
PubChem CID14171650
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name(3R,4R)-oxolane-3,4-diamine
SMILESN[C@H]1COC[C@@H]1N
InChIInChI=1S/C4H10N2O/c5-3-1-7-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m0/s1
InChIKeyVPSJSRRUXSUNFA-IMJSIDKUSA-N
XLogP-1.33
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-oxolane-3,4-diamine?
The IUPAC name of (3R,4R)-oxolane-3,4-diamine (CID 14171650) is (3R,4R)-oxolane-3,4-diamine.
What is the SMILES notation for (3R,4R)-oxolane-3,4-diamine?
The canonical SMILES for (3R,4R)-oxolane-3,4-diamine is N[C@H]1COC[C@@H]1N.
What is the InChIKey of (3R,4R)-oxolane-3,4-diamine?
The InChIKey is VPSJSRRUXSUNFA-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H10N2O/c5-3-1-7-2-4(3)6/h3-4H,1-2,5-6H2/t3-,4-/m0/s1.
What are the key properties of (3R,4R)-oxolane-3,4-diamine?
(3R,4R)-oxolane-3,4-diamine has a molecular weight of 102.14 g/mol, XLogP of -1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-oxolane-3,4-diamine is sourced from PubChem (CID 14171650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).