1-methoxy-N,N-dimethylethanamine;pyrrolidine

C9H22N2O — CID 91538543

IUPAC1-methoxy-N,N-dimethylethanamine;pyrrolidine
SMILESC1CCNC1.COC(C)N(C)C
InChIInChI=1S/C5H13NO.C4H9N/c1-5(7-4)6(2)3;1-2-4-5-3-1/h5H,1-4H3;5H,1-4H2
InChIKeyKDOYJCWXXZGPET-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.91
Rot. Bonds2

About 1-methoxy-N,N-dimethylethanamine;pyrrolidine

1-methoxy-N,N-dimethylethanamine;pyrrolidine (PubChem CID 91538543) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethylethanamine;pyrrolidine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethylethanamine;pyrrolidine
PubChem CID91538543
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-methoxy-N,N-dimethylethanamine;pyrrolidine
SMILESC1CCNC1.COC(C)N(C)C
InChIInChI=1S/C5H13NO.C4H9N/c1-5(7-4)6(2)3;1-2-4-5-3-1/h5H,1-4H3;5H,1-4H2
InChIKeyKDOYJCWXXZGPET-UHFFFAOYSA-N
XLogP0.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.91
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

1-[1-(3-Methoxypropyl)pyrrolidin-3-yl]methanamine
CID 17389974
2-(2-(Pyrrolidin-1-yl)ethoxy)ethan-1-amine
CID 10080641
2-Hydroxyethyl(trimethyl)azanium;pyrrolidine
CID 22496163
N-methyl-3-(2-pyrrolidin-1-ylethoxy)propan-1-amine
CID 55209777
1-(2-Methoxyethyl)pyrrolidin-1-ium
CID 59375925
1-(3-Methoxypropyl)pyrrolidin-1-ium
CID 59375929
N-(2-methoxyethyl)-2-pyrrolidin-1-ylethanamine
CID 60683104
3-methoxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 60684468
3-ethoxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 60689640
3-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 60691309
N-(2-ethoxyethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 60696991
N-(2-ethoxyethyl)-2-pyrrolidin-1-ylethanamine
CID 60698188

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N-dimethylethanamine;pyrrolidine?
The IUPAC name of 1-methoxy-N,N-dimethylethanamine;pyrrolidine (CID 91538543) is 1-methoxy-N,N-dimethylethanamine;pyrrolidine.
What is the SMILES notation for 1-methoxy-N,N-dimethylethanamine;pyrrolidine?
The canonical SMILES for 1-methoxy-N,N-dimethylethanamine;pyrrolidine is C1CCNC1.COC(C)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethylethanamine;pyrrolidine?
The InChIKey is KDOYJCWXXZGPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C4H9N/c1-5(7-4)6(2)3;1-2-4-5-3-1/h5H,1-4H3;5H,1-4H2.
What are the key properties of 1-methoxy-N,N-dimethylethanamine;pyrrolidine?
1-methoxy-N,N-dimethylethanamine;pyrrolidine has a molecular weight of 174.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethylethanamine;pyrrolidine is sourced from PubChem (CID 91538543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).