(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine

C8H18N2O — CID 7015144

IUPAC(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine
SMILESCC1(C)C[C@H](N)C(C)(C)N1O
InChIInChI=1S/C8H18N2O/c1-7(2)5-6(9)8(3,4)10(7)11/h6,11H,5,9H2,1-4H3/t6-/m0/s1
InChIKeyUSGBLEMQARVRDC-LURJTMIESA-N
MW158.24 g/mol
LogP0.97
Rot. Bonds

About (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine

(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine (PubChem CID 7015144) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine
PubChem CID7015144
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine
SMILESCC1(C)C[C@H](N)C(C)(C)N1O
InChIInChI=1S/C8H18N2O/c1-7(2)5-6(9)8(3,4)10(7)11/h6,11H,5,9H2,1-4H3/t6-/m0/s1
InChIKeyUSGBLEMQARVRDC-LURJTMIESA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine (CID 7015144) is (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine is CC1(C)C[C@H](N)C(C)(C)N1O.
What is the InChIKey of (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine?
The InChIKey is USGBLEMQARVRDC-LURJTMIESA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(2)5-6(9)8(3,4)10(7)11/h6,11H,5,9H2,1-4H3/t6-/m0/s1.
What are the key properties of (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine?
(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine has a molecular weight of 158.24 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-amine is sourced from PubChem (CID 7015144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).