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

C4H11ClN2O — CID 89488201

IUPAC(3R,4R)-oxolane-3,4-diamine;hydrochloride
SMILESCl.N[C@H]1COC[C@@H]1N
InChIInChI=1S/C4H10N2O.ClH/c5-3-1-7-2-4(3)6;/h3-4H,1-2,5-6H2;1H/t3-,4-;/m0./s1
InChIKeySQGJJIWPAKDJQS-MMALYQPHSA-N
MW138.60 g/mol
LogP-0.91
Rot. Bonds

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

(3R,4R)-oxolane-3,4-diamine;hydrochloride (PubChem CID 89488201) has the molecular formula C4H11ClN2O and a molecular weight of 138.60 g/mol. Its IUPAC name is (3R,4R)-oxolane-3,4-diamine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-oxolane-3,4-diamine;hydrochloride
PubChem CID89488201
Molecular FormulaC4H11ClN2O
Molecular Weight138.60 g/mol
Exact Mass138.06
IUPAC Name(3R,4R)-oxolane-3,4-diamine;hydrochloride
SMILESCl.N[C@H]1COC[C@@H]1N
InChIInChI=1S/C4H10N2O.ClH/c5-3-1-7-2-4(3)6;/h3-4H,1-2,5-6H2;1H/t3-,4-;/m0./s1
InChIKeySQGJJIWPAKDJQS-MMALYQPHSA-N
XLogP-0.91
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.60
LogP ≤ 5-0.91
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;hydrochloride?
The IUPAC name of (3R,4R)-oxolane-3,4-diamine;hydrochloride (CID 89488201) is (3R,4R)-oxolane-3,4-diamine;hydrochloride.
What is the SMILES notation for (3R,4R)-oxolane-3,4-diamine;hydrochloride?
The canonical SMILES for (3R,4R)-oxolane-3,4-diamine;hydrochloride is Cl.N[C@H]1COC[C@@H]1N.
What is the InChIKey of (3R,4R)-oxolane-3,4-diamine;hydrochloride?
The InChIKey is SQGJJIWPAKDJQS-MMALYQPHSA-N. The full InChI is InChI=1S/C4H10N2O.ClH/c5-3-1-7-2-4(3)6;/h3-4H,1-2,5-6H2;1H/t3-,4-;/m0./s1.
What are the key properties of (3R,4R)-oxolane-3,4-diamine;hydrochloride?
(3R,4R)-oxolane-3,4-diamine;hydrochloride has a molecular weight of 138.60 g/mol, XLogP of -0.91, 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;hydrochloride is sourced from PubChem (CID 89488201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).