(2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine

C12H26N2O — CID 178196736

IUPAC(2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCOCC(C)(C)[C@H]1[C@H](N)CCN1C(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)14-7-6-10(13)11(14)12(3,4)8-15-5/h9-11H,6-8,13H2,1-5H3/t10-,11-/m1/s1
InChIKeySMTOJPSTQUEZKL-GHMZBOCLSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds4

About (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine

(2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 178196736) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID178196736
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCOCC(C)(C)[C@H]1[C@H](N)CCN1C(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)14-7-6-10(13)11(14)12(3,4)8-15-5/h9-11H,6-8,13H2,1-5H3/t10-,11-/m1/s1
InChIKeySMTOJPSTQUEZKL-GHMZBOCLSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine
CID 178196567
3-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778810
3-methoxy-2-methyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494738
(1-propan-2-ylazetidin-2-yl)methyl carbamate
CID 175128148
(2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196781
(4-methyl-1-propan-2-ylpiperidin-2-yl)methanamine
CID 103440582
(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196562
(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
CID 134168187
4-N-(1-methoxy-2-methylpropan-2-yl)cyclohexane-1,4-diamine
CID 141338808
(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine
CID 178196710
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
CID 146615150

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine (CID 178196736) is (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine is COCC(C)(C)[C@H]1[C@H](N)CCN1C(C)C.
What is the InChIKey of (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is SMTOJPSTQUEZKL-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)14-7-6-10(13)11(14)12(3,4)8-15-5/h9-11H,6-8,13H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine?
(2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 178196736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).