1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine

C9H20N2O — CID 168883595

IUPAC1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine
SMILESCCONCC1NCCC1(C)C
InChIInChI=1S/C9H20N2O/c1-4-12-11-7-8-9(2,3)5-6-10-8/h8,10-11H,4-7H2,1-3H3
InChIKeyMYNYLKDWQMNNND-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.92
Rot. Bonds4

About 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine

1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine (PubChem CID 168883595) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine.

Molecular Properties

Compound Name1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine
PubChem CID168883595
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine
SMILESCCONCC1NCCC1(C)C
InChIInChI=1S/C9H20N2O/c1-4-12-11-7-8-9(2,3)5-6-10-8/h8,10-11H,4-7H2,1-3H3
InChIKeyMYNYLKDWQMNNND-UHFFFAOYSA-N
XLogP0.92
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine?
The IUPAC name of 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine (CID 168883595) is 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine.
What is the SMILES notation for 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine?
The canonical SMILES for 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine is CCONCC1NCCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine?
The InChIKey is MYNYLKDWQMNNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-4-12-11-7-8-9(2,3)5-6-10-8/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine?
1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpyrrolidin-2-yl)-N-ethoxymethanamine is sourced from PubChem (CID 168883595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).