(1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol

C11H24N2O — CID 89432897

IUPAC(1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol
SMILESCNCC[C@@H](O)[C@@H]1C[C@H](C(C)C)CN1
InChIInChI=1S/C11H24N2O/c1-8(2)9-6-10(13-7-9)11(14)4-5-12-3/h8-14H,4-7H2,1-3H3/t9-,10-,11+/m0/s1
InChIKeyOOFJNTAAMIOJGP-GARJFASQSA-N
MW200.33 g/mol
LogP0.59
Rot. Bonds5

About (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol

(1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol (PubChem CID 89432897) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol
PubChem CID89432897
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol
SMILESCNCC[C@@H](O)[C@@H]1C[C@H](C(C)C)CN1
InChIInChI=1S/C11H24N2O/c1-8(2)9-6-10(13-7-9)11(14)4-5-12-3/h8-14H,4-7H2,1-3H3/t9-,10-,11+/m0/s1
InChIKeyOOFJNTAAMIOJGP-GARJFASQSA-N
XLogP0.59
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol (CID 89432897) is (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol is CNCC[C@@H](O)[C@@H]1C[C@H](C(C)C)CN1.
What is the InChIKey of (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is OOFJNTAAMIOJGP-GARJFASQSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(2)9-6-10(13-7-9)11(14)4-5-12-3/h8-14H,4-7H2,1-3H3/t9-,10-,11+/m0/s1.
What are the key properties of (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol?
(1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(methylamino)-1-[(2S,4R)-4-propan-2-ylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 89432897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).