2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

C9H19NO — CID 164661994

IUPAC2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)C(O)[C@@H]1CCCN1
InChIInChI=1S/C9H19NO/c1-9(2,3)8(11)7-5-4-6-10-7/h7-8,10-11H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKeyKMQGFHHTDNBHKE-JAMMHHFISA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds1

About 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol

2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (PubChem CID 164661994) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
PubChem CID164661994
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)(C)C(O)[C@@H]1CCCN1
InChIInChI=1S/C9H19NO/c1-9(2,3)8(11)7-5-4-6-10-7/h7-8,10-11H,4-6H2,1-3H3/t7-,8?/m0/s1
InChIKeyKMQGFHHTDNBHKE-JAMMHHFISA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
2-(3,4,4-trimethylpentan-2-yl)pyrrolidine
CID 135277685
2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
CID 138712862
(R)-cyclopentyl-[(2S)-pyrrolidin-2-yl]methanol
CID 138485478
cyclohexyl(pyrrolidin-2-yl)methanol;ethane
CID 142116174
(2S)-2-[(2R,3S)-3-[(2S)-pyrrolidin-2-yl]butan-2-yl]pyrrolidine
CID 129418670
(4-ethylpiperidin-2-yl)-pyrrolidin-2-ylmethanol
CID 106639933
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
cyclopentyl(pyrrolidin-2-yl)methanol;2-pyrrolidin-2-ylpropan-2-ol
CID 142507489
2-(1,2-dihydroxy-1-pyrrolidin-2-ylpropan-2-yl)oxyoxane-3,4,5-triol
CID 67373011
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol (CID 164661994) is 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is CC(C)(C)C(O)[C@@H]1CCCN1.
What is the InChIKey of 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
The InChIKey is KMQGFHHTDNBHKE-JAMMHHFISA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,3)8(11)7-5-4-6-10-7/h7-8,10-11H,4-6H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol?
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 164661994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).