[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol

C10H21NO — CID 13425763

IUPAC[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)CN1CCC[C@H]1CO
InChIInChI=1S/C10H21NO/c1-10(2,3)8-11-6-4-5-9(11)7-12/h9,12H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyHPYDVQQTWXLJNN-VIFPVBQESA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds2

About [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol

[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 13425763) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
PubChem CID13425763
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)CN1CCC[C@H]1CO
InChIInChI=1S/C10H21NO/c1-10(2,3)8-11-6-4-5-9(11)7-12/h9,12H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyHPYDVQQTWXLJNN-VIFPVBQESA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-2-pyrrolidinemethanol
CID 97836
(2S)-1-Methyl-2-pyrrolidinemethanol
CID 643492
[(2S)-1-Ethyl-2-Pyrrolidinyl]Methanol
CID 952319
((2R)-1-methylpyrrolidin-2-yl)methanol
CID 11007868
[1-(Prop-2-yn-1-yl)pyrrolidin-2-yl]methanol
CID 18616423
((2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl)methanol
CID 952314
((2R)-1-ethylpyrrolidin-2-yl)methanol
CID 952320
(1-Propylpyrrolidin-2-yl)methanol
CID 23383549
1-[(2S)-1-methylpyrrolidin-2-yl]ethan-1-ol
CID 45087390
((2S)-1-(2-methoxyethyl)pyrrolidin-2-yl)methanol
CID 59701827
(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
(1S)-1-[(2S)-1-Methylpyrrolidin-2-yl]ethanol
CID 92979732

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol (CID 13425763) is [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol is CC(C)(C)CN1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is HPYDVQQTWXLJNN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)8-11-6-4-5-9(11)7-12/h9,12H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 13425763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).