N-ethyl-2,2-dimethoxyethanamine

C6H15NO2 — CID 3020444

IUPACN-ethyl-2,2-dimethoxyethanamine
SMILESCCNCC(OC)OC
InChIInChI=1S/C6H15NO2/c1-4-7-5-6(8-2)9-3/h6-7H,4-5H2,1-3H3
InChIKeyBNTDCSJFYZPOMC-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.21
Rot. Bonds5

About N-ethyl-2,2-dimethoxyethanamine

N-ethyl-2,2-dimethoxyethanamine (PubChem CID 3020444) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is N-ethyl-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethoxyethanamine
PubChem CID3020444
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC NameN-ethyl-2,2-dimethoxyethanamine
SMILESCCNCC(OC)OC
InChIInChI=1S/C6H15NO2/c1-4-7-5-6(8-2)9-3/h6-7H,4-5H2,1-3H3
InChIKeyBNTDCSJFYZPOMC-UHFFFAOYSA-N
XLogP0.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.21
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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Related Compounds

Aminoacetaldehyde dimethyl acetal
CID 89728
2,2-Dimethoxyethylmethylamine
CID 8503
Bis(2-Methoxyethyl)amine
CID 2383
Bis(2,2-dimethoxyethyl)amine
CID 92445
2-Methoxymorpholine
CID 22019307
Ethanamine, 2,2-diethoxy-N-methyl-
CID 88646
N-(2,2-Diethoxyethyl)-2,2-diethoxyethan-1-amine
CID 231973
1,1-dimethoxy-N-methylpropan-2-amine
CID 12027887
(2,2-Dimethoxyethyl)(propan-2-yl)amine
CID 12293012
N-(2,2-dimethoxyethyl)formamide
CID 10942469
2,2-Diethoxy-N-ethylethan-1-amine
CID 12503261
N-(2,2-Dimethoxyethyl)prop-2-yn-1-amine
CID 20307436

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethoxyethanamine?
The IUPAC name of N-ethyl-2,2-dimethoxyethanamine (CID 3020444) is N-ethyl-2,2-dimethoxyethanamine.
What is the SMILES notation for N-ethyl-2,2-dimethoxyethanamine?
The canonical SMILES for N-ethyl-2,2-dimethoxyethanamine is CCNCC(OC)OC.
What is the InChIKey of N-ethyl-2,2-dimethoxyethanamine?
The InChIKey is BNTDCSJFYZPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-4-7-5-6(8-2)9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethoxyethanamine?
N-ethyl-2,2-dimethoxyethanamine has a molecular weight of 133.19 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethoxyethanamine is sourced from PubChem (CID 3020444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).