N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine

C10H21NO2 — CID 90341012

IUPACN-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine
SMILESCCN(CCC1CCCO1)COC
InChIInChI=1S/C10H21NO2/c1-3-11(9-12-2)7-6-10-5-4-8-13-10/h10H,3-9H2,1-2H3
InChIKeyKNSJQKWLILBVMY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.48
Rot. Bonds6

About N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine

N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine (PubChem CID 90341012) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine
PubChem CID90341012
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine
SMILESCCN(CCC1CCCO1)COC
InChIInChI=1S/C10H21NO2/c1-3-11(9-12-2)7-6-10-5-4-8-13-10/h10H,3-9H2,1-2H3
InChIKeyKNSJQKWLILBVMY-UHFFFAOYSA-N
XLogP1.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.48
H-Bond Donors ≤ 50
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-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine (CID 90341012) is N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine is CCN(CCC1CCCO1)COC.
What is the InChIKey of N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is KNSJQKWLILBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-11(9-12-2)7-6-10-5-4-8-13-10/h10H,3-9H2,1-2H3.
What are the key properties of N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine?
N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 187.28 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(methoxymethyl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 90341012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).