1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine

C9H20N2O — CID 151272828

IUPAC1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine
SMILESCC1C(N)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C9H20N2O/c1-6-7(10)9(4,5)11(12)8(6,2)3/h6-7,12H,10H2,1-5H3
InChIKeyNWSRIYFSOUYZLC-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.21
Rot. Bonds

About 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine

1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine (PubChem CID 151272828) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine
PubChem CID151272828
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine
SMILESCC1C(N)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C9H20N2O/c1-6-7(10)9(4,5)11(12)8(6,2)3/h6-7,12H,10H2,1-5H3
InChIKeyNWSRIYFSOUYZLC-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine?
The IUPAC name of 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine (CID 151272828) is 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine.
What is the SMILES notation for 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine?
The canonical SMILES for 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine is CC1C(N)C(C)(C)N(O)C1(C)C.
What is the InChIKey of 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine?
The InChIKey is NWSRIYFSOUYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6-7(10)9(4,5)11(12)8(6,2)3/h6-7,12H,10H2,1-5H3.
What are the key properties of 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine?
1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine has a molecular weight of 172.27 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,4,5,5-pentamethylpyrrolidin-3-amine is sourced from PubChem (CID 151272828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).