(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride

C7H18Cl2N2O — CID 154842546

IUPAC(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
SMILESCN(C)C[C@@H]1COC[C@H]1N.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-9(2)3-6-4-10-5-7(6)8;;/h6-7H,3-5,8H2,1-2H3;2*1H/t6-,7-;;/m1../s1
InChIKeyDDBBHALECRHPKL-GPJOBVNKSA-N
MW217.14 g/mol
LogP0.37
Rot. Bonds2

About (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride

(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride (PubChem CID 154842546) has the molecular formula C7H18Cl2N2O and a molecular weight of 217.14 g/mol. Its IUPAC name is (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
PubChem CID154842546
Molecular FormulaC7H18Cl2N2O
Molecular Weight217.14 g/mol
Exact Mass216.08
IUPAC Name(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride
SMILESCN(C)C[C@@H]1COC[C@H]1N.Cl.Cl
InChIInChI=1S/C7H16N2O.2ClH/c1-9(2)3-6-4-10-5-7(6)8;;/h6-7H,3-5,8H2,1-2H3;2*1H/t6-,7-;;/m1../s1
InChIKeyDDBBHALECRHPKL-GPJOBVNKSA-N
XLogP0.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride?
The IUPAC name of (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride (CID 154842546) is (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride.
What is the SMILES notation for (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride?
The canonical SMILES for (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride is CN(C)C[C@@H]1COC[C@H]1N.Cl.Cl.
What is the InChIKey of (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride?
The InChIKey is DDBBHALECRHPKL-GPJOBVNKSA-N. The full InChI is InChI=1S/C7H16N2O.2ClH/c1-9(2)3-6-4-10-5-7(6)8;;/h6-7H,3-5,8H2,1-2H3;2*1H/t6-,7-;;/m1../s1.
What are the key properties of (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride?
(3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride has a molecular weight of 217.14 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(dimethylamino)methyl]oxolan-3-amine;dihydrochloride is sourced from PubChem (CID 154842546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).