5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine

C13H28N2O — CID 65254280

IUPAC5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
SMILESCOCC1CCN(CCCC(C)(C)CN)C1
InChIInChI=1S/C13H28N2O/c1-13(2,11-14)6-4-7-15-8-5-12(9-15)10-16-3/h12H,4-11,14H2,1-3H3
InChIKeyBGIBCFSWXQCUSG-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds7

About 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine

5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine (PubChem CID 65254280) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
PubChem CID65254280
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
SMILESCOCC1CCN(CCCC(C)(C)CN)C1
InChIInChI=1S/C13H28N2O/c1-13(2,11-14)6-4-7-15-8-5-12(9-15)10-16-3/h12H,4-11,14H2,1-3H3
InChIKeyBGIBCFSWXQCUSG-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-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

7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-2-amine
CID 64568140
2-(cyclopropylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentan-1-ol
CID 64809590
5-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64570689
6-(4-ethylpiperidin-1-yl)-2,2-dimethylhexan-1-amine
CID 106707970
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-2-amine
CID 64570092
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine (CID 65254280) is 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine is COCC1CCN(CCCC(C)(C)CN)C1.
What is the InChIKey of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine?
The InChIKey is BGIBCFSWXQCUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,11-14)6-4-7-15-8-5-12(9-15)10-16-3/h12H,4-11,14H2,1-3H3.
What are the key properties of 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine?
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 65254280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).