1-tert-butyl-4-ethoxypyrrolidin-3-amine

C10H22N2O — CID 77447596

IUPAC1-tert-butyl-4-ethoxypyrrolidin-3-amine
SMILESCCOC1CN(C(C)(C)C)CC1N
InChIInChI=1S/C10H22N2O/c1-5-13-9-7-12(6-8(9)11)10(2,3)4/h8-9H,5-7,11H2,1-4H3
InChIKeyFBTXZFXGWWSLIC-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.83
Rot. Bonds2

About 1-tert-butyl-4-ethoxypyrrolidin-3-amine

1-tert-butyl-4-ethoxypyrrolidin-3-amine (PubChem CID 77447596) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-tert-butyl-4-ethoxypyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-4-ethoxypyrrolidin-3-amine
PubChem CID77447596
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-tert-butyl-4-ethoxypyrrolidin-3-amine
SMILESCCOC1CN(C(C)(C)C)CC1N
InChIInChI=1S/C10H22N2O/c1-5-13-9-7-12(6-8(9)11)10(2,3)4/h8-9H,5-7,11H2,1-4H3
InChIKeyFBTXZFXGWWSLIC-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethoxypyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-4-ethoxypyrrolidin-3-amine (CID 77447596) is 1-tert-butyl-4-ethoxypyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-4-ethoxypyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-4-ethoxypyrrolidin-3-amine is CCOC1CN(C(C)(C)C)CC1N.
What is the InChIKey of 1-tert-butyl-4-ethoxypyrrolidin-3-amine?
The InChIKey is FBTXZFXGWWSLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-13-9-7-12(6-8(9)11)10(2,3)4/h8-9H,5-7,11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethoxypyrrolidin-3-amine?
1-tert-butyl-4-ethoxypyrrolidin-3-amine has a molecular weight of 186.30 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethoxypyrrolidin-3-amine is sourced from PubChem (CID 77447596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).