1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol

C15H31NO — CID 104627949

IUPAC1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol
SMILESCCCCC(CC)CN1CCCC1CC(C)O
InChIInChI=1S/C15H31NO/c1-4-6-8-14(5-2)12-16-10-7-9-15(16)11-13(3)17/h13-15,17H,4-12H2,1-3H3
InChIKeyDETAATTUIZVORD-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds8

About 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol

1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 104627949) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID104627949
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol
SMILESCCCCC(CC)CN1CCCC1CC(C)O
InChIInChI=1S/C15H31NO/c1-4-6-8-14(5-2)12-16-10-7-9-15(16)11-13(3)17/h13-15,17H,4-12H2,1-3H3
InChIKeyDETAATTUIZVORD-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methylpyrrolidin-2-yl)propan-2-ol
CID 270601
(S)-1-((S)-1-Methylpyrrolidin-2-yl)propan-2-ol
CID 11029951
Pseudohygroline
CID 12310695
(alphaR,2R)-alpha,1-Dimethyl-2-pyrrolidineethanol
CID 442642
(+)-Pseudohygroline
CID 11029949
(2S,3S,4S)-4-fluoro-1,2-di(propan-2-yl)pyrrolidin-3-ol
CID 161723469
1-(1-Methyl-4-isopropyl-2-pyrrolidyl)-3-propanol
CID 129803236
(3R,5S)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995533
(3R,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995536
(3S,5S)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995541
(3S,5R)-1-(2-fluoroethyl)-5-propan-2-ylpyrrolidin-3-ol
CID 99995545
(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995622

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol (CID 104627949) is 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol is CCCCC(CC)CN1CCCC1CC(C)O.
What is the InChIKey of 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is DETAATTUIZVORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-8-14(5-2)12-16-10-7-9-15(16)11-13(3)17/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylhexyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 104627949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).