1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine

C13H28N2O — CID 107505934

IUPAC1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)11-6-7-15(8-11)9-12(14-4)10-16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyWYPRKJGJJSSTAW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine

1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine (PubChem CID 107505934) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine
PubChem CID107505934
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine
SMILESCNC(COC)CN1CCC(C(C)(C)C)C1
InChIInChI=1S/C13H28N2O/c1-13(2,3)11-6-7-15(8-11)9-12(14-4)10-16-5/h11-12,14H,6-10H2,1-5H3
InChIKeyWYPRKJGJJSSTAW-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-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

N-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335079
N-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine;ethane
CID 172335403
N-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine;ethane
CID 172335455
N-[(4,4-dimethylpyrrolidin-2-yl)methyl]-N-methyl-2-(trifluoromethoxy)ethanamine
CID 172335456
(S)-N-(2-Methoxyethyl)-3-methyl-1-(pyrrolidin-1-yl)butan-2-amine
CID 67773790
N-(2-methoxyethyl)-3-methyl-1-pyrrolidin-1-ylbutan-2-amine
CID 67773796
N-[[3-(2-methylhexan-2-yl)-1,3-oxazolidin-4-yl]methyl]ethanamine
CID 91411938
1-[4-ethyl-1-(2-methoxyethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 123163090
(3S,4R)-4-tert-butyl-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 141502298
1-(3,5-dimethyl-5-propan-2-yl-1,3-oxazolidin-4-yl)-N-methylmethanamine
CID 144229399
N-(2-methoxyethyl)-1,5,5-trimethylpyrrolidin-3-amine
CID 166869641
(3R)-1-ethyl-N-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-amine
CID 166870119

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine (CID 107505934) is 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine is CNC(COC)CN1CCC(C(C)(C)C)C1.
What is the InChIKey of 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine?
The InChIKey is WYPRKJGJJSSTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)11-6-7-15(8-11)9-12(14-4)10-16-5/h11-12,14H,6-10H2,1-5H3.
What are the key properties of 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine?
1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpyrrolidin-1-yl)-3-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 107505934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).