(3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine

C12H26N2O — CID 166870118

IUPAC(3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCOCCN(C)[C@@H]1C[C@H](C)N(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)14-9-12(8-11(14)3)13(4)6-7-15-5/h10-12H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyFCKBPRQTZYVQMC-NWDGAFQWSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds5

About (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine

(3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 166870118) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID166870118
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCOCCN(C)[C@@H]1C[C@H](C)N(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10(2)14-9-12(8-11(14)3)13(4)6-7-15-5/h10-12H,6-9H2,1-5H3/t11-,12+/m0/s1
InChIKeyFCKBPRQTZYVQMC-NWDGAFQWSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-tert-butyl-N-(2-methoxyethyl)-N,5-dimethylpyrrolidin-3-amine
CID 168820437
(2R)-4-(methoxymethyl)-2-methyl-1-propan-2-ylpyrrolidine
CID 89094421
N-(2-methoxyethyl)-N-methylazetidin-3-amine;dihydrochloride
CID 137347103
(3S)-1-tert-butyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 166567303
N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine
CID 145040316
2-(methoxymethyl)-4-methyl-1-propan-2-ylpyrrolidine
CID 89385775
4-tert-butyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine;4-tert-butyl-N-(methoxymethyl)-N-methylcyclohexan-1-amine
CID 160830532
butane;ethane;N-(2-methoxyethyl)-N-methylpiperidin-4-amine
CID 144963014
(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
CID 96567567
3-[2-methoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79641824
tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
CID 145359890
trans-(1R,2R)-2-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 104954570

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine (CID 166870118) is (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine is COCCN(C)[C@@H]1C[C@H](C)N(C(C)C)C1.
What is the InChIKey of (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is FCKBPRQTZYVQMC-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)14-9-12(8-11(14)3)13(4)6-7-15-5/h10-12H,6-9H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine?
(3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-(2-methoxyethyl)-N,5-dimethyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 166870118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).