2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine

C11H23N3O — CID 58420499

IUPAC2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine
SMILESCO/N=C1\CN(C(C)(C)C)CC1CCN
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-7-9(5-6-12)10(8-14)13-15-4/h9H,5-8,12H2,1-4H3/b13-10+
InChIKeyWYELTTBGYGEVMV-JLHYYAGUSA-N
MW213.32 g/mol
LogP1.07
Rot. Bonds3

About 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine

2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine (PubChem CID 58420499) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine
PubChem CID58420499
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine
SMILESCO/N=C1\CN(C(C)(C)C)CC1CCN
InChIInChI=1S/C11H23N3O/c1-11(2,3)14-7-9(5-6-12)10(8-14)13-15-4/h9H,5-8,12H2,1-4H3/b13-10+
InChIKeyWYELTTBGYGEVMV-JLHYYAGUSA-N
XLogP1.07
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine (CID 58420499) is 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine is CO/N=C1\CN(C(C)(C)C)CC1CCN.
What is the InChIKey of 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine?
The InChIKey is WYELTTBGYGEVMV-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H23N3O/c1-11(2,3)14-7-9(5-6-12)10(8-14)13-15-4/h9H,5-8,12H2,1-4H3/b13-10+.
What are the key properties of 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine?
2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine has a molecular weight of 213.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-1-tert-butyl-4-methoxyiminopyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 58420499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).