1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine

C11H24N2O — CID 58364938

IUPAC1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCNC1CCN(C(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)13-7-5-10(9-13)12-6-8-14-4/h10,12H,5-9H2,1-4H3
InChIKeyHUJXVYBWRCIMOU-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds4

About 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine

1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 58364938) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID58364938
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCNC1CCN(C(C)(C)C)C1
InChIInChI=1S/C11H24N2O/c1-11(2,3)13-7-5-10(9-13)12-6-8-14-4/h10,12H,5-9H2,1-4H3
InChIKeyHUJXVYBWRCIMOU-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine (CID 58364938) is 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine is COCCNC1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is HUJXVYBWRCIMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)13-7-5-10(9-13)12-6-8-14-4/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine?
1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 58364938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).