1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine

C12H23NO4 — CID 11402319

IUPAC1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine
SMILESCC1(C)OCC(CNCC2COC(C)(C)O2)O1
InChIInChI=1S/C12H23NO4/c1-11(2)14-7-9(16-11)5-13-6-10-8-15-12(3,4)17-10/h9-10,13H,5-8H2,1-4H3
InChIKeyFKUDINVNNOQDIO-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.88
Rot. Bonds4

About 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine

1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine (PubChem CID 11402319) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine
PubChem CID11402319
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine
SMILESCC1(C)OCC(CNCC2COC(C)(C)O2)O1
InChIInChI=1S/C12H23NO4/c1-11(2)14-7-9(16-11)5-13-6-10-8-15-12(3,4)17-10/h9-10,13H,5-8H2,1-4H3
InChIKeyFKUDINVNNOQDIO-UHFFFAOYSA-N
XLogP0.88
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine (CID 11402319) is 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine is CC1(C)OCC(CNCC2COC(C)(C)O2)O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine?
The InChIKey is FKUDINVNNOQDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2)14-7-9(16-11)5-13-6-10-8-15-12(3,4)17-10/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine?
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine has a molecular weight of 245.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]methanamine is sourced from PubChem (CID 11402319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).