4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

C15H29NO2 — CID 79929462

IUPAC4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCCC1CCCN1CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO2/c1-6-11-8-7-9-16(11)10-12-13(17)15(4,5)18-14(12,2)3/h11-13,17H,6-10H2,1-5H3
InChIKeyWFQJMCHKLNUNLZ-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds3

About 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol

4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (PubChem CID 79929462) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.

Molecular Properties

Compound Name4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
PubChem CID79929462
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
SMILESCCC1CCCN1CC1C(O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO2/c1-6-11-8-7-9-16(11)10-12-13(17)15(4,5)18-14(12,2)3/h11-13,17H,6-10H2,1-5H3
InChIKeyWFQJMCHKLNUNLZ-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,5-tetramethyl-4-[(2-methylpyrrolidin-1-yl)methyl]oxolan-3-ol
CID 79929463
1-(cyclopropylmethyl)-2-ethylpyrrolidine
CID 59900579
[1-[[4-(ethylamino)-2,2,5,5-tetramethyloxolan-3-yl]methyl]piperidin-2-yl]methanol
CID 79913376
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-ol
CID 115562015
5-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 104692099
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79912449
1,2-diethylpyrrolidine;hydrochloride
CID 175060343
(2S)-2,5-diethyl-1-[(2-ethylpyrrolidin-1-yl)methyl]pyrrolidine
CID 143922765
2-[(2-ethylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 62615870
5-[(2-ethylpiperidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79865483
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The IUPAC name of 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol (CID 79929462) is 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol.
What is the SMILES notation for 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The canonical SMILES for 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is CCC1CCCN1CC1C(O)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
The InChIKey is WFQJMCHKLNUNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-11-8-7-9-16(11)10-12-13(17)15(4,5)18-14(12,2)3/h11-13,17H,6-10H2,1-5H3.
What are the key properties of 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol?
4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol is sourced from PubChem (CID 79929462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).