2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol

C10H21NO — CID 130292096

IUPAC2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol
SMILESCC1(C)CNC(C)(C(C)(C)O)C1
InChIInChI=1S/C10H21NO/c1-8(2)6-10(5,11-7-8)9(3,4)12/h11-12H,6-7H2,1-5H3
InChIKeyNTLUFIUQAULELC-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds1

About 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol

2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol (PubChem CID 130292096) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol
PubChem CID130292096
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol
SMILESCC1(C)CNC(C)(C(C)(C)O)C1
InChIInChI=1S/C10H21NO/c1-8(2)6-10(5,11-7-8)9(3,4)12/h11-12H,6-7H2,1-5H3
InChIKeyNTLUFIUQAULELC-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidin-2-yl)propan-2-ol
CID 12732176
2-(Pyrrolidin-2-yl)propan-2-ol--hydrogen chloride (1/1)
CID 21127410
3-Tert-butylpyrrolidin-3-ol hydrochloride
CID 66662240
2-((2R)-pyrrolidin-2-yl)propan-2-ol hydrochloride
CID 66970742
(S)-2-(pyrrolidin-2-yl)propan-2-ol
CID 12732179
(r)-2-(Pyrrolidin-2-yl)propan-2-ol
CID 12732175
3-Tert-butylpyrrolidin-3-ol
CID 55296408
1-(2-Ethyl-4-fluoropyrrolidin-2-yl)cyclopropan-1-ol
CID 171827118
3-[(2S)-pyrrolidin-2-yl]pentan-3-ol
CID 10534938
2-[(2R)-2-methylpyrrolidin-2-yl]propan-2-ol
CID 14886375
[(2S)-2-propan-2-ylpyrrolidin-2-yl]methanol
CID 22942169
3-(2-Aminobutan-2-yl)pyrrolidin-3-ol
CID 57157135

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol?
The IUPAC name of 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol (CID 130292096) is 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol?
The canonical SMILES for 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol is CC1(C)CNC(C)(C(C)(C)O)C1.
What is the InChIKey of 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol?
The InChIKey is NTLUFIUQAULELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)6-10(5,11-7-8)9(3,4)12/h11-12H,6-7H2,1-5H3.
What are the key properties of 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol?
2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethylpyrrolidin-2-yl)propan-2-ol is sourced from PubChem (CID 130292096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).