N-(1,1-dimethoxyethyl)-N-methylformamide

C6H13NO3 — CID 88676160

IUPACN-(1,1-dimethoxyethyl)-N-methylformamide
SMILESCOC(C)(OC)N(C)C=O
InChIInChI=1S/C6H13NO3/c1-6(9-3,10-4)7(2)5-8/h5H,1-4H3
InChIKeyQHDUJVOIOLEMMX-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.04
Rot. Bonds4

About N-(1,1-dimethoxyethyl)-N-methylformamide

N-(1,1-dimethoxyethyl)-N-methylformamide (PubChem CID 88676160) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(1,1-dimethoxyethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(1,1-dimethoxyethyl)-N-methylformamide
PubChem CID88676160
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(1,1-dimethoxyethyl)-N-methylformamide
SMILESCOC(C)(OC)N(C)C=O
InChIInChI=1S/C6H13NO3/c1-6(9-3,10-4)7(2)5-8/h5H,1-4H3
InChIKeyQHDUJVOIOLEMMX-UHFFFAOYSA-N
XLogP0.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

azanium;N,N-dimethylformamide;chloride
CID 159495814
CID 159352431
CID 159352431
N-methyl-N-sulfanylformamide chloride
CID 23317739
N-methyl-N-(1,1,2-trichloroethyl)formamide
CID 173025448
1,1-dimethoxy-N,N-bis(methylamino)ethanamine
CID 150549786
(2R)-2-cyclopropyl-2-methoxypropanal
CID 124706187
2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide
CID 170071630
N,N-dimethylformamide;molecular chlorine
CID 86751989
pentakis(N,N-dimethylformamide);ethane
CID 54023735
2-[formyl-[methyl(sulfinato)amino]amino]oxy-2-methylpropane
CID 91235628
N-(1,1-dimethoxyethyl)formamide
CID 57315952
(2S,3R,4R,5R)-2,3,4,5-tetrahydroxy-3,4,5-trimethoxyhexanal
CID 140905083

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxyethyl)-N-methylformamide?
The IUPAC name of N-(1,1-dimethoxyethyl)-N-methylformamide (CID 88676160) is N-(1,1-dimethoxyethyl)-N-methylformamide.
What is the SMILES notation for N-(1,1-dimethoxyethyl)-N-methylformamide?
The canonical SMILES for N-(1,1-dimethoxyethyl)-N-methylformamide is COC(C)(OC)N(C)C=O.
What is the InChIKey of N-(1,1-dimethoxyethyl)-N-methylformamide?
The InChIKey is QHDUJVOIOLEMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(9-3,10-4)7(2)5-8/h5H,1-4H3.
What are the key properties of N-(1,1-dimethoxyethyl)-N-methylformamide?
N-(1,1-dimethoxyethyl)-N-methylformamide has a molecular weight of 147.17 g/mol, XLogP of 0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxyethyl)-N-methylformamide is sourced from PubChem (CID 88676160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).