1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine

C10H22N2O — CID 21182156

IUPAC1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C10H22N2O/c1-7(11)8-6-9(2,3)12(13)10(8,4)5/h7-8,13H,6,11H2,1-5H3
InChIKeyOJCVBWIPZPCTCH-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.60
Rot. Bonds1

About 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine

1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine (PubChem CID 21182156) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine
PubChem CID21182156
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine
SMILESCC(N)C1CC(C)(C)N(O)C1(C)C
InChIInChI=1S/C10H22N2O/c1-7(11)8-6-9(2,3)12(13)10(8,4)5/h7-8,13H,6,11H2,1-5H3
InChIKeyOJCVBWIPZPCTCH-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 124185
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CID 7015144
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CID 11853022
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CID 11853023
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CID 19821427
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CID 22466049
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CID 22895093
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CID 44344178
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CID 53894783
CID 53894783

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine (CID 21182156) is 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine is CC(N)C1CC(C)(C)N(O)C1(C)C.
What is the InChIKey of 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine?
The InChIKey is OJCVBWIPZPCTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(11)8-6-9(2,3)12(13)10(8,4)5/h7-8,13H,6,11H2,1-5H3.
What are the key properties of 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine?
1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine has a molecular weight of 186.30 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 21182156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).