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

C10H22N2O — CID 118295605

IUPAC1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine
SMILESCOCCNC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2O/c1-10(2,3)12-7-9(8-12)11-5-6-13-4/h9,11H,5-8H2,1-4H3
InChIKeyXWNQZCFATMLMHJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds4

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

1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine (PubChem CID 118295605) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine
PubChem CID118295605
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine
SMILESCOCCNC1CN(C(C)(C)C)C1
InChIInChI=1S/C10H22N2O/c1-10(2,3)12-7-9(8-12)11-5-6-13-4/h9,11H,5-8H2,1-4H3
InChIKeyXWNQZCFATMLMHJ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine?
The IUPAC name of 1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine (CID 118295605) is 1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine is COCCNC1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine?
The InChIKey is XWNQZCFATMLMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(2,3)12-7-9(8-12)11-5-6-13-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine?
1-tert-butyl-N-(2-methoxyethyl)azetidin-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 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)azetidin-3-amine is sourced from PubChem (CID 118295605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).