N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine

C10H23NO2 — CID 88736108

IUPACN-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine
SMILESCCOC(C)(CNCC(C)C)OC
InChIInChI=1S/C10H23NO2/c1-6-13-10(4,12-5)8-11-7-9(2)3/h9,11H,6-8H2,1-5H3
InChIKeySWHWBGFCKFEXQL-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.63
Rot. Bonds7

About N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine

N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine (PubChem CID 88736108) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine
PubChem CID88736108
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC NameN-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine
SMILESCCOC(C)(CNCC(C)C)OC
InChIInChI=1S/C10H23NO2/c1-6-13-10(4,12-5)8-11-7-9(2)3/h9,11H,6-8H2,1-5H3
InChIKeySWHWBGFCKFEXQL-UHFFFAOYSA-N
XLogP1.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.63
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-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine (CID 88736108) is N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine is CCOC(C)(CNCC(C)C)OC.
What is the InChIKey of N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine?
The InChIKey is SWHWBGFCKFEXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-6-13-10(4,12-5)8-11-7-9(2)3/h9,11H,6-8H2,1-5H3.
What are the key properties of N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine?
N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine has a molecular weight of 189.30 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methoxypropyl)-2-methylpropan-1-amine is sourced from PubChem (CID 88736108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).