1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine

C14H28N2O4 — CID 28844

IUPAC1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1COC(CCC2OCC(CN(C)C)O2)O1
InChIInChI=1S/C14H28N2O4/c1-15(2)7-11-9-17-13(19-11)5-6-14-18-10-12(20-14)8-16(3)4/h11-14H,5-10H2,1-4H3
InChIKeyWLSQFTQPKCFUGR-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.37
Rot. Bonds7

About 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine

1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine (PubChem CID 28844) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine
PubChem CID28844
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1COC(CCC2OCC(CN(C)C)O2)O1
InChIInChI=1S/C14H28N2O4/c1-15(2)7-11-9-17-13(19-11)5-6-14-18-10-12(20-14)8-16(3)4/h11-14H,5-10H2,1-4H3
InChIKeyWLSQFTQPKCFUGR-UHFFFAOYSA-N
XLogP0.37
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine (CID 28844) is 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine is CN(C)CC1COC(CCC2OCC(CN(C)C)O2)O1.
What is the InChIKey of 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine?
The InChIKey is WLSQFTQPKCFUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-15(2)7-11-9-17-13(19-11)5-6-14-18-10-12(20-14)8-16(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine?
1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine has a molecular weight of 288.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-[(dimethylamino)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 28844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).