N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine

C9H20N2O2 — CID 82714770

IUPACN-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine
SMILESCOCCONC1CC(C)N(C)C1
InChIInChI=1S/C9H20N2O2/c1-8-6-9(7-11(8)2)10-13-5-4-12-3/h8-10H,4-7H2,1-3H3
InChIKeyXULZCRAXINVYLE-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.25
Rot. Bonds5

About N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine

N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 82714770) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine
PubChem CID82714770
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine
SMILESCOCCONC1CC(C)N(C)C1
InChIInChI=1S/C9H20N2O2/c1-8-6-9(7-11(8)2)10-13-5-4-12-3/h8-10H,4-7H2,1-3H3
InChIKeyXULZCRAXINVYLE-UHFFFAOYSA-N
XLogP0.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine (CID 82714770) is N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine is COCCONC1CC(C)N(C)C1.
What is the InChIKey of N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is XULZCRAXINVYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8-6-9(7-11(8)2)10-13-5-4-12-3/h8-10H,4-7H2,1-3H3.
What are the key properties of N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine?
N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 188.27 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 82714770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).