ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide

C10H22N2O2 — CID 145148035

IUPACethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide
SMILESCC.COC1(CNC=O)CCN(C)C1
InChIInChI=1S/C8H16N2O2.C2H6/c1-10-4-3-8(6-10,12-2)5-9-7-11;1-2/h7H,3-6H2,1-2H3,(H,9,11);1-2H3
InChIKeyXCIFGVISKUAWTN-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.48
Rot. Bonds4

About ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide

ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide (PubChem CID 145148035) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide.

Molecular Properties

Compound Nameethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide
PubChem CID145148035
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide
SMILESCC.COC1(CNC=O)CCN(C)C1
InChIInChI=1S/C8H16N2O2.C2H6/c1-10-4-3-8(6-10,12-2)5-9-7-11;1-2/h7H,3-6H2,1-2H3,(H,9,11);1-2H3
InChIKeyXCIFGVISKUAWTN-UHFFFAOYSA-N
XLogP0.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxy-1-methylpiperidin-3-yl)-N-methylmethanamine
CID 105435284
N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]-N-methylpropan-2-amine
CID 165404567
4-methoxy-4-(methoxymethyl)-1-methylpiperidine
CID 90227657
3-ethyl-3-methoxy-1-methylazepane
CID 24974913
3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium
CID 171561088
1-(3-ethoxy-1-methylpiperidin-3-yl)-N-methylmethanamine
CID 105442315
N-[(6-methyl-6-azaspiro[2.5]octan-2-yl)methyl]formamide
CID 154671249
3-methoxy-1-methylpiperidine-3-carbaldehyde
CID 105430672
3-methoxy-1-methyl-3-propan-2-ylpyrrolidine
CID 163257812
N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 178011017
3-methoxy-1-methylpyrrolidin-3-ol
CID 70383865

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide?
The IUPAC name of ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide (CID 145148035) is ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide.
What is the SMILES notation for ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide?
The canonical SMILES for ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide is CC.COC1(CNC=O)CCN(C)C1.
What is the InChIKey of ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide?
The InChIKey is XCIFGVISKUAWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C2H6/c1-10-4-3-8(6-10,12-2)5-9-7-11;1-2/h7H,3-6H2,1-2H3,(H,9,11);1-2H3.
What are the key properties of ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide?
ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide has a molecular weight of 202.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3-methoxy-1-methylpyrrolidin-3-yl)methyl]formamide is sourced from PubChem (CID 145148035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).