N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine

C8H19NO2 — CID 58168465

IUPACN-(2,2-dimethoxyethyl)-2-methylpropan-1-amine
SMILESCOC(CNCC(C)C)OC
InChIInChI=1S/C8H19NO2/c1-7(2)5-9-6-8(10-3)11-4/h7-9H,5-6H2,1-4H3
InChIKeyUJPXEIBEGRZNJU-UHFFFAOYSA-N
MW161.25 g/mol
LogP0.85
Rot. Bonds6

About N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine

N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine (PubChem CID 58168465) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-methylpropan-1-amine
PubChem CID58168465
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC NameN-(2,2-dimethoxyethyl)-2-methylpropan-1-amine
SMILESCOC(CNCC(C)C)OC
InChIInChI=1S/C8H19NO2/c1-7(2)5-9-6-8(10-3)11-4/h7-9H,5-6H2,1-4H3
InChIKeyUJPXEIBEGRZNJU-UHFFFAOYSA-N
XLogP0.85
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 50.85
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-1-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine (CID 58168465) is N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine is COC(CNCC(C)C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine?
The InChIKey is UJPXEIBEGRZNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-7(2)5-9-6-8(10-3)11-4/h7-9H,5-6H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine?
N-(2,2-dimethoxyethyl)-2-methylpropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 0.85, 6 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-1-amine is sourced from PubChem (CID 58168465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).