(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine

C12H26N2O — CID 166567303

IUPAC(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
SMILESCOCCN(C)[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-12(2,3)14-7-6-11(10-14)13(4)8-9-15-5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyBBKRXKYFVIDJGZ-NSHDSACASA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds4

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

(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine (PubChem CID 166567303) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
PubChem CID166567303
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
SMILESCOCCN(C)[C@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-12(2,3)14-7-6-11(10-14)13(4)8-9-15-5/h11H,6-10H2,1-5H3/t11-/m0/s1
InChIKeyBBKRXKYFVIDJGZ-NSHDSACASA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine (CID 166567303) is (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine is COCCN(C)[C@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine?
The InChIKey is BBKRXKYFVIDJGZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)14-7-6-11(10-14)13(4)8-9-15-5/h11H,6-10H2,1-5H3/t11-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine?
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 166567303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).