N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine

C11H24N2O2 — CID 168941075

IUPACN-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine
SMILESCC(C)N1CCC1.COCCN(C)C=O
InChIInChI=1S/C6H13N.C5H11NO2/c1-6(2)7-4-3-5-7;1-6(5-7)3-4-8-2/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyLDAJJJQWALAYLY-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.82
Rot. Bonds5

About N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine

N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine (PubChem CID 168941075) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine
PubChem CID168941075
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine
SMILESCC(C)N1CCC1.COCCN(C)C=O
InChIInChI=1S/C6H13N.C5H11NO2/c1-6(2)7-4-3-5-7;1-6(5-7)3-4-8-2/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3
InChIKeyLDAJJJQWALAYLY-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylformamide;ethane;1-propan-2-ylpyrrolidine
CID 162750414
N,N-diethylformamide;1-propan-2-ylazetidine
CID 142366047
N,N-dimethylmethanamine;1-propan-2-ylpyrrolidine
CID 177158830
1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
CID 147502598
formic acid;1-propan-2-ylpyrrolidine
CID 162750581
4-propan-2-yl-1,4-diazepane-1-carbaldehyde
CID 87764611
methoxymethane;1-propan-2-ylpiperidine
CID 153352735
methoxymethane;1-propan-2-ylazepane
CID 178173420
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1-propan-2-ylazepan-4-amine
CID 65078077
ethane;N-methyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]formamide
CID 156860349
1-pentan-3-yl-4-propan-2-yl-1,4-diazepane
CID 168909794
N-methyl-N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]formamide
CID 170740078

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine?
The IUPAC name of N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine (CID 168941075) is N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine?
The canonical SMILES for N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine is CC(C)N1CCC1.COCCN(C)C=O.
What is the InChIKey of N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine?
The InChIKey is LDAJJJQWALAYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO2/c1-6(2)7-4-3-5-7;1-6(5-7)3-4-8-2/h6H,3-5H2,1-2H3;5H,3-4H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine?
N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine has a molecular weight of 216.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methylformamide;1-propan-2-ylazetidine is sourced from PubChem (CID 168941075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).