[4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride

C9H22Cl2N2O — CID 138987893

IUPAC[4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride
SMILESCN(C)CC1(CN)CCOCC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-11(2)8-9(7-10)3-5-12-6-4-9;;/h3-8,10H2,1-2H3;2*1H
InChIKeyZFFFWNRTVVYDIC-UHFFFAOYSA-N
MW245.19 g/mol
LogP1.15
Rot. Bonds3

About [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride

[4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride (PubChem CID 138987893) has the molecular formula C9H22Cl2N2O and a molecular weight of 245.19 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride
PubChem CID138987893
Molecular FormulaC9H22Cl2N2O
Molecular Weight245.19 g/mol
Exact Mass244.11
IUPAC Name[4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride
SMILESCN(C)CC1(CN)CCOCC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-11(2)8-9(7-10)3-5-12-6-4-9;;/h3-8,10H2,1-2H3;2*1H
InChIKeyZFFFWNRTVVYDIC-UHFFFAOYSA-N
XLogP1.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;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 [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride?
The IUPAC name of [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride (CID 138987893) is [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride is CN(C)CC1(CN)CCOCC1.Cl.Cl.
What is the InChIKey of [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride?
The InChIKey is ZFFFWNRTVVYDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.2ClH/c1-11(2)8-9(7-10)3-5-12-6-4-9;;/h3-8,10H2,1-2H3;2*1H.
What are the key properties of [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride?
[4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride has a molecular weight of 245.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]oxan-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 138987893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).