(3S,4S)-oxolane-3,4-diamine;dihydrochloride

C4H12Cl2N2O — CID 71304766

IUPAC(3S,4S)-oxolane-3,4-diamine;dihydrochloride
SMILESCl.Cl.N[C@@H]1COC[C@H]1N
InChIInChI=1S/C4H10N2O.2ClH/c5-3-1-7-2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H/t3-,4-;;/m1../s1
InChIKeyPJOPFTSMNUPXIB-XWJKVJTJSA-N
MW175.06 g/mol
LogP-0.49
Rot. Bonds

About (3S,4S)-oxolane-3,4-diamine;dihydrochloride

(3S,4S)-oxolane-3,4-diamine;dihydrochloride (PubChem CID 71304766) has the molecular formula C4H12Cl2N2O and a molecular weight of 175.06 g/mol. Its IUPAC name is (3S,4S)-oxolane-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Name(3S,4S)-oxolane-3,4-diamine;dihydrochloride
PubChem CID71304766
Molecular FormulaC4H12Cl2N2O
Molecular Weight175.06 g/mol
Exact Mass174.03
IUPAC Name(3S,4S)-oxolane-3,4-diamine;dihydrochloride
SMILESCl.Cl.N[C@@H]1COC[C@H]1N
InChIInChI=1S/C4H10N2O.2ClH/c5-3-1-7-2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H/t3-,4-;;/m1../s1
InChIKeyPJOPFTSMNUPXIB-XWJKVJTJSA-N
XLogP-0.49
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.06
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-oxolane-3,4-diamine;dihydrochloride?
The IUPAC name of (3S,4S)-oxolane-3,4-diamine;dihydrochloride (CID 71304766) is (3S,4S)-oxolane-3,4-diamine;dihydrochloride.
What is the SMILES notation for (3S,4S)-oxolane-3,4-diamine;dihydrochloride?
The canonical SMILES for (3S,4S)-oxolane-3,4-diamine;dihydrochloride is Cl.Cl.N[C@@H]1COC[C@H]1N.
What is the InChIKey of (3S,4S)-oxolane-3,4-diamine;dihydrochloride?
The InChIKey is PJOPFTSMNUPXIB-XWJKVJTJSA-N. The full InChI is InChI=1S/C4H10N2O.2ClH/c5-3-1-7-2-4(3)6;;/h3-4H,1-2,5-6H2;2*1H/t3-,4-;;/m1../s1.
What are the key properties of (3S,4S)-oxolane-3,4-diamine;dihydrochloride?
(3S,4S)-oxolane-3,4-diamine;dihydrochloride has a molecular weight of 175.06 g/mol, XLogP of -0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-oxolane-3,4-diamine;dihydrochloride is sourced from PubChem (CID 71304766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).