N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine

C13H28N2O — CID 64583581

IUPACN-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)CN1CCC(COC)C1
InChIInChI=1S/C13H28N2O/c1-5-14-10-13(2,3)11-15-7-6-12(8-15)9-16-4/h12,14H,5-11H2,1-4H3
InChIKeySHNHUSJZOYKGAU-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.59
Rot. Bonds7

About N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine

N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine (PubChem CID 64583581) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine
PubChem CID64583581
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)CN1CCC(COC)C1
InChIInChI=1S/C13H28N2O/c1-5-14-10-13(2,3)11-15-7-6-12(8-15)9-16-4/h12,14H,5-11H2,1-4H3
InChIKeySHNHUSJZOYKGAU-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 63973001
N-ethyl-3-(3-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62257877
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
3-(4-ethoxypiperidin-1-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62256195
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(propylamino)propanamide
CID 64581749
N-tert-butyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-2-methylbutan-1-amine
CID 106588959
2,2-dimethyl-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62257595
2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 64791191
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
2-ethyl-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylbutan-1-amine
CID 106588987

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine (CID 64583581) is N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine is CCNCC(C)(C)CN1CCC(COC)C1.
What is the InChIKey of N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is SHNHUSJZOYKGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14-10-13(2,3)11-15-7-6-12(8-15)9-16-4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine?
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 64583581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).