N-(2,2-diethoxyethyl)-2-methylpropan-2-amine

C10H23NO2 — CID 2060481

IUPACN-(2,2-diethoxyethyl)-2-methylpropan-2-amine
SMILESCCOC(CNC(C)(C)C)OCC
InChIInChI=1S/C10H23NO2/c1-6-12-9(13-7-2)8-11-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyJNDMPYIUOSTGIF-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.77
Rot. Bonds6

About N-(2,2-diethoxyethyl)-2-methylpropan-2-amine

N-(2,2-diethoxyethyl)-2-methylpropan-2-amine (PubChem CID 2060481) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-2-methylpropan-2-amine
PubChem CID2060481
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC NameN-(2,2-diethoxyethyl)-2-methylpropan-2-amine
SMILESCCOC(CNC(C)(C)C)OCC
InChIInChI=1S/C10H23NO2/c1-6-12-9(13-7-2)8-11-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyJNDMPYIUOSTGIF-UHFFFAOYSA-N
XLogP1.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2,2-diethoxyethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2,2-diethoxyethyl)-2-methylpropan-2-amine (CID 2060481) is N-(2,2-diethoxyethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2,2-diethoxyethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2,2-diethoxyethyl)-2-methylpropan-2-amine is CCOC(CNC(C)(C)C)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-2-methylpropan-2-amine?
The InChIKey is JNDMPYIUOSTGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-6-12-9(13-7-2)8-11-10(3,4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of N-(2,2-diethoxyethyl)-2-methylpropan-2-amine?
N-(2,2-diethoxyethyl)-2-methylpropan-2-amine has a molecular weight of 189.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 2060481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).