[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol

C14H27NO2 — CID 83040396

IUPAC[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
SMILESCCC1(CC)CC(N2CCC(CO)C2)CCO1
InChIInChI=1S/C14H27NO2/c1-3-14(4-2)9-13(6-8-17-14)15-7-5-12(10-15)11-16/h12-13,16H,3-11H2,1-2H3
InChIKeyUOLNXGYZUILZJX-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.04
Rot. Bonds4

About [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol

[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 83040396) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
PubChem CID83040396
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol
SMILESCCC1(CC)CC(N2CCC(CO)C2)CCO1
InChIInChI=1S/C14H27NO2/c1-3-14(4-2)9-13(6-8-17-14)15-7-5-12(10-15)11-16/h12-13,16H,3-11H2,1-2H3
InChIKeyUOLNXGYZUILZJX-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2,2-diethyloxan-4-yl)piperidin-3-amine
CID 83039229
[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol
CID 117005885
[1-(1-propylpiperidin-4-yl)pyrrolidin-3-yl]methanol
CID 64866043
1-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)-1,4-diazepane
CID 103372116
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
CID 83039236
1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 83039643
8-(2,2-diethyloxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83039128
N-[[1-(2,2-dimethyloxan-4-yl)pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 83028563
[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
CID 165469741
[1-(1,7-dioxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
CID 165488460
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol (CID 83040396) is [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol is CCC1(CC)CC(N2CCC(CO)C2)CCO1.
What is the InChIKey of [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is UOLNXGYZUILZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-14(4-2)9-13(6-8-17-14)15-7-5-12(10-15)11-16/h12-13,16H,3-11H2,1-2H3.
What are the key properties of [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol?
[1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 241.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-diethyloxan-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 83040396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).