(3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine

C13H28N2O — CID 168820437

IUPAC(3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine
SMILESCOCCN(C)[C@H]1CC(C)N(C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-11-9-12(14(5)7-8-16-6)10-15(11)13(2,3)4/h11-12H,7-10H2,1-6H3/t11?,12-/m0/s1
InChIKeyWPZVAXZKJBQACW-KIYNQFGBSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds4

About (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine

(3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine (PubChem CID 168820437) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine
PubChem CID168820437
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine
SMILESCOCCN(C)[C@H]1CC(C)N(C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-11-9-12(14(5)7-8-16-6)10-15(11)13(2,3)4/h11-12H,7-10H2,1-6H3/t11?,12-/m0/s1
InChIKeyWPZVAXZKJBQACW-KIYNQFGBSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-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

Related Compounds

(3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 166870118
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 166567303
4-tert-butyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine;4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine
CID 160830532
N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride
CID 137347103
1-tert-butyl-2,4-dimethylpyrrolidine
CID 72522507
tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
CID 145359890
N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine
CID 145040316
1-N-[(3R)-1-tert-butylpyrrolidin-3-yl]-3-N-(2-methoxyethyl)-1-N,3-N,3-trimethylpentane-1,3-diamine
CID 170265972
(2R)-1-tert-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 175550564
(2R,4S)-1-tert-butyl-4-chloro-2-methylpyrrolidine
CID 153298890
[(3R,5R)-1-tert-butyl-5-methylpyrrolidin-3-yl]methanol
CID 160603058
butane;ethane;N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 144963014

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine (CID 168820437) is (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine is COCCN(C)[C@H]1CC(C)N(C(C)(C)C)C1.
What is the InChIKey of (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine?
The InChIKey is WPZVAXZKJBQACW-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11-9-12(14(5)7-8-16-6)10-15(11)13(2,3)4/h11-12H,7-10H2,1-6H3/t11?,12-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine?
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 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,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 168820437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).