1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol

C15H31NO2 — CID 146339534

IUPAC1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol
SMILESCCC(C)(CN1CCC(O)C1)CC(C)(C)COC
InChIInChI=1S/C15H31NO2/c1-6-15(4,10-14(2,3)12-18-5)11-16-8-7-13(17)9-16/h13,17H,6-12H2,1-5H3
InChIKeyUXIFPBCQESXNQM-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.53
Rot. Bonds7

About 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol

1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol (PubChem CID 146339534) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol
PubChem CID146339534
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol
SMILESCCC(C)(CN1CCC(O)C1)CC(C)(C)COC
InChIInChI=1S/C15H31NO2/c1-6-15(4,10-14(2,3)12-18-5)11-16-8-7-13(17)9-16/h13,17H,6-12H2,1-5H3
InChIKeyUXIFPBCQESXNQM-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 10560638
Gpfdmbrxbdsfct-vuwppudqsa-
CID 21626165
1-Methyl-4-propylpyrrolidin-3-ol
CID 57834734
5-(2,2-Dimethylpropyl)-1-(2-methoxyethyl)pyrrolidin-3-ol
CID 58530662
1-[(2S)-1,2-dimethylpyrrolidin-2-yl]ethanol
CID 59861735
(1S)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol
CID 59861736
(1R)-1-[(2R)-1,2-dimethylpyrrolidin-2-yl]ethanol
CID 59861750
1-(2,2-Dimethylpropyl)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol
CID 60043714
(3R)-5-tert-butyl-1-(oxan-4-yl)pyrrolidin-3-ol
CID 67953163
(3R)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol
CID 67953168
(3S)-5-tert-butyl-1-propan-2-ylpyrrolidin-3-ol
CID 67953218
(3S)-5-tert-butyl-1-(oxan-4-yl)pyrrolidin-3-ol
CID 67953219

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol (CID 146339534) is 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol is CCC(C)(CN1CCC(O)C1)CC(C)(C)COC.
What is the InChIKey of 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol?
The InChIKey is UXIFPBCQESXNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-15(4,10-14(2,3)12-18-5)11-16-8-7-13(17)9-16/h13,17H,6-12H2,1-5H3.
What are the key properties of 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol?
1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol has a molecular weight of 257.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methoxy-2,4,4-trimethylpentyl)pyrrolidin-3-ol is sourced from PubChem (CID 146339534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).