4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine

C11H24N2O — CID 116501647

IUPAC4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine
SMILESCOCC(C)C(CN)N1CCC(C)C1
InChIInChI=1S/C11H24N2O/c1-9-4-5-13(7-9)11(6-12)10(2)8-14-3/h9-11H,4-8,12H2,1-3H3
InChIKeyGAUIIYRYHLIASY-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.94
Rot. Bonds5

About 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine

4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine (PubChem CID 116501647) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine
PubChem CID116501647
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine
SMILESCOCC(C)C(CN)N1CCC(C)C1
InChIInChI=1S/C11H24N2O/c1-9-4-5-13(7-9)11(6-12)10(2)8-14-3/h9-11H,4-8,12H2,1-3H3
InChIKeyGAUIIYRYHLIASY-UHFFFAOYSA-N
XLogP0.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-Methoxypropyl)pyrrolidin-3-yl]methanamine
CID 17389974
4-[(Dimethylamino)methyl]-1-(oxan-4-YL)pyrrolidin-3-amine
CID 91910974
4-Fluoro-4-(methoxymethyl)-1-methylpyrrolidin-3-amine
CID 142528473
N-(oxolan-3-ylmethyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090261
4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-2-amine
CID 64568824
3,3,3-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-amine
CID 64568829
4,4,4-Trifluoro-3-[3-(methoxymethyl)pyrrolidin-1-yl]butan-1-amine
CID 64569234
1,1,1-Trifluoro-2-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-3-amine
CID 64571035
2,2,2-trifluoro-N-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]ethanamine
CID 64581215
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 64584011
2-(3-(Methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl)ethan-1-amine
CID 121202682
2-[(3R,4S)-3-(methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]ethanamine
CID 129496031

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine (CID 116501647) is 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine is COCC(C)C(CN)N1CCC(C)C1.
What is the InChIKey of 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is GAUIIYRYHLIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9-4-5-13(7-9)11(6-12)10(2)8-14-3/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine?
4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 200.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-2-(3-methylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 116501647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).