N-(1-ethoxyethyl)-N-methylformamide

C6H13NO2 — CID 87133135

IUPACN-(1-ethoxyethyl)-N-methylformamide
SMILESCCOC(C)N(C)C=O
InChIInChI=1S/C6H13NO2/c1-4-9-6(2)7(3)5-8/h5-6H,4H2,1-3H3
InChIKeyMPJQFBZATVUSKK-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.46
Rot. Bonds4

About N-(1-ethoxyethyl)-N-methylformamide

N-(1-ethoxyethyl)-N-methylformamide (PubChem CID 87133135) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(1-ethoxyethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(1-ethoxyethyl)-N-methylformamide
PubChem CID87133135
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(1-ethoxyethyl)-N-methylformamide
SMILESCCOC(C)N(C)C=O
InChIInChI=1S/C6H13NO2/c1-4-9-6(2)7(3)5-8/h5-6H,4H2,1-3H3
InChIKeyMPJQFBZATVUSKK-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide
CID 88675632
2-ethoxypropane;zinc
CID 174321747
1-ethoxy-N-methyl-N-[(trimethyl-λ4-sulfanyl)methyl]ethanamine
CID 156570734
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
(2R)-2-ethoxy-3-methylbutanal
CID 124526091
1,1-diethoxyethane;2-methylpropanedial
CID 88830026
N-(1-ethoxyethyl)-N-ethylhydroxylamine
CID 19893007
N-ethenyl-3-ethoxy-N-methylbutan-2-amine
CID 143938330
N-methyl-N-(propan-2-yloxymethyl)formamide
CID 119098293
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylformamide
CID 64991857
N,N-dimethyl-2-triethoxysilylpropan-1-amine
CID 23051840
1,1-diethoxyethane
CID 7765

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxyethyl)-N-methylformamide?
The IUPAC name of N-(1-ethoxyethyl)-N-methylformamide (CID 87133135) is N-(1-ethoxyethyl)-N-methylformamide.
What is the SMILES notation for N-(1-ethoxyethyl)-N-methylformamide?
The canonical SMILES for N-(1-ethoxyethyl)-N-methylformamide is CCOC(C)N(C)C=O.
What is the InChIKey of N-(1-ethoxyethyl)-N-methylformamide?
The InChIKey is MPJQFBZATVUSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-9-6(2)7(3)5-8/h5-6H,4H2,1-3H3.
What are the key properties of N-(1-ethoxyethyl)-N-methylformamide?
N-(1-ethoxyethyl)-N-methylformamide has a molecular weight of 131.18 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)-N-methylformamide is sourced from PubChem (CID 87133135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).