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

C8H19NO2 — CID 13172164

IUPACN-(2,2-dimethoxyethyl)-2-methylpropan-2-amine
SMILESCOC(CNC(C)(C)C)OC
InChIInChI=1S/C8H19NO2/c1-8(2,3)9-6-7(10-4)11-5/h7,9H,6H2,1-5H3
InChIKeyFARSSNUMQTWXMH-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.99
Rot. Bonds4

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

N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine (PubChem CID 13172164) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-methylpropan-2-amine
PubChem CID13172164
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC NameN-(2,2-dimethoxyethyl)-2-methylpropan-2-amine
SMILESCOC(CNC(C)(C)C)OC
InChIInChI=1S/C8H19NO2/c1-8(2,3)9-6-7(10-4)11-5/h7,9H,6H2,1-5H3
InChIKeyFARSSNUMQTWXMH-UHFFFAOYSA-N
XLogP0.99
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.99
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-dimethoxyethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine (CID 13172164) is N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine is COC(CNC(C)(C)C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine?
The InChIKey is FARSSNUMQTWXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-8(2,3)9-6-7(10-4)11-5/h7,9H,6H2,1-5H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine?
N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine has a molecular weight of 161.25 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 13172164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).