N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine

C12H26N2O — CID 59340797

IUPACN-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)13-8-10-7-11(3,4)14(15)12(10,5)6/h9-10,13,15H,7-8H2,1-6H3
InChIKeyCOFODLOEZINHNT-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.25
Rot. Bonds3

About N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine

N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine (PubChem CID 59340797) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine
PubChem CID59340797
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)13-8-10-7-11(3,4)14(15)12(10,5)6/h9-10,13,15H,7-8H2,1-6H3
InChIKeyCOFODLOEZINHNT-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine (CID 59340797) is N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine is CC(C)NCC1CC(C)(C)N(O)C1(C)C.
What is the InChIKey of N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine?
The InChIKey is COFODLOEZINHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)13-8-10-7-11(3,4)14(15)12(10,5)6/h9-10,13,15H,7-8H2,1-6H3.
What are the key properties of N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine?
N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine has a molecular weight of 214.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 59340797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).