2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C11H26N2O2 — CID 63697430

IUPAC2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOC(CNC(CN(C)C)C(C)C)OC
InChIInChI=1S/C11H26N2O2/c1-9(2)10(8-13(3)4)12-7-11(14-5)15-6/h9-12H,7-8H2,1-6H3
InChIKeyDDLUNOLNPIHABP-UHFFFAOYSA-N
MW218.34 g/mol
LogP0.78
Rot. Bonds8

About 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 63697430) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID63697430
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Name2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCOC(CNC(CN(C)C)C(C)C)OC
InChIInChI=1S/C11H26N2O2/c1-9(2)10(8-13(3)4)12-7-11(14-5)15-6/h9-12H,7-8H2,1-6H3
InChIKeyDDLUNOLNPIHABP-UHFFFAOYSA-N
XLogP0.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 63697430) is 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is COC(CNC(CN(C)C)C(C)C)OC.
What is the InChIKey of 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is DDLUNOLNPIHABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2/c1-9(2)10(8-13(3)4)12-7-11(14-5)15-6/h9-12H,7-8H2,1-6H3.
What are the key properties of 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 0.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-dimethoxyethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 63697430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).