(3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine

C12H26N2O — CID 129196229

IUPAC(3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine
SMILESCN[C@@H]1C[C@@H](COC(C)C)N(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)14-7-11(13-5)6-12(14)8-15-10(3)4/h9-13H,6-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyVZMTZASVJSHFTF-NEPJUHHUSA-N
MW214.35 g/mol
LogP1.48
Rot. Bonds5

About (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine

(3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine (PubChem CID 129196229) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine
PubChem CID129196229
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine
SMILESCN[C@@H]1C[C@@H](COC(C)C)N(C(C)C)C1
InChIInChI=1S/C12H26N2O/c1-9(2)14-7-11(13-5)6-12(14)8-15-10(3)4/h9-13H,6-8H2,1-5H3/t11-,12+/m1/s1
InChIKeyVZMTZASVJSHFTF-NEPJUHHUSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine?
The IUPAC name of (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine (CID 129196229) is (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine?
The canonical SMILES for (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine is CN[C@@H]1C[C@@H](COC(C)C)N(C(C)C)C1.
What is the InChIKey of (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine?
The InChIKey is VZMTZASVJSHFTF-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)14-7-11(13-5)6-12(14)8-15-10(3)4/h9-13H,6-8H2,1-5H3/t11-,12+/m1/s1.
What are the key properties of (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine?
(3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-methyl-1-propan-2-yl-5-(propan-2-yloxymethyl)pyrrolidin-3-amine is sourced from PubChem (CID 129196229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).