(3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol

C11H24N2O — CID 57189928

IUPAC(3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol
SMILESCNCC(CC(C)C)N1CC[C@H](O)C1
InChIInChI=1S/C11H24N2O/c1-9(2)6-10(7-12-3)13-5-4-11(14)8-13/h9-12,14H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeyOZWUXTANSAOKDC-DTIOYNMSSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds5

About (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol

(3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol (PubChem CID 57189928) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol
PubChem CID57189928
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol
SMILESCNCC(CC(C)C)N1CC[C@H](O)C1
InChIInChI=1S/C11H24N2O/c1-9(2)6-10(7-12-3)13-5-4-11(14)8-13/h9-12,14H,4-8H2,1-3H3/t10?,11-/m0/s1
InChIKeyOZWUXTANSAOKDC-DTIOYNMSSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol (CID 57189928) is (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol is CNCC(CC(C)C)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol?
The InChIKey is OZWUXTANSAOKDC-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)6-10(7-12-3)13-5-4-11(14)8-13/h9-12,14H,4-8H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol?
(3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-methyl-1-(methylamino)pentan-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 57189928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).