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

C12H25NO — CID 135037287

IUPAC[(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol
SMILESCC[C@@]1(CO)CCCN1CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-12(10-14)7-6-8-13(12)9-11(2,3)4/h14H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyMVQFZUGYBIWYLZ-LBPRGKRZSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds3

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

[(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol (PubChem CID 135037287) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol
PubChem CID135037287
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol
SMILESCC[C@@]1(CO)CCCN1CC(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-12(10-14)7-6-8-13(12)9-11(2,3)4/h14H,5-10H2,1-4H3/t12-/m0/s1
InChIKeyMVQFZUGYBIWYLZ-LBPRGKRZSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
[(2S)-1-(2,2-Dimethylpropyl)pyrrolidin-2-yl]methanol
CID 13425763
(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
[1-(2,2-Difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 130634120
[1-(2-Fluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 130644994
[(4R)-4-fluoro-1,2-dimethyl-pyrrolidin-2-yl]methanol
CID 146625134
[1-(3-Fluoropropyl)-2-methylpyrrolidin-2-yl]methanol
CID 163598888
[(2S,4R)-2-ethyl-4-fluoro-1-methylpyrrolidin-2-yl]methanol
CID 164878963
[(2S,4R)-4-fluoro-1-methyl-2-propylpyrrolidin-2-yl]methanol
CID 164878972
(1,2-Diethyl-4,4-difluoropyrrolidin-2-yl)methanol
CID 166534101
(4-Fluoro-1,2-dimethylpyrrolidin-2-yl)methanol
CID 166984354
[(2R)-1-(2,2-difluoroethyl)-2-methylpyrrolidin-2-yl]methanol
CID 169131286

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol (CID 135037287) is [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol is CC[C@@]1(CO)CCCN1CC(C)(C)C.
What is the InChIKey of [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol?
The InChIKey is MVQFZUGYBIWYLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(10-14)7-6-8-13(12)9-11(2,3)4/h14H,5-10H2,1-4H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol?
[(2S)-1-(2,2-dimethylpropyl)-2-ethylpyrrolidin-2-yl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 3 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)-2-ethylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 135037287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).