3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol

C16H32N2O2 — CID 62479395

IUPAC3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNCC1(CN2CCCC2CCCO)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-2-17-13-16(7-11-20-12-8-16)14-18-9-3-5-15(18)6-4-10-19/h15,17,19H,2-14H2,1H3
InChIKeyXEDYKJUAFUZJCJ-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.63
Rot. Bonds8

About 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62479395) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62479395
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCCNCC1(CN2CCCC2CCCO)CCOCC1
InChIInChI=1S/C16H32N2O2/c1-2-17-13-16(7-11-20-12-8-16)14-18-9-3-5-15(18)6-4-10-19/h15,17,19H,2-14H2,1H3
InChIKeyXEDYKJUAFUZJCJ-UHFFFAOYSA-N
XLogP1.63
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol with MolForge

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Related Compounds

[1-[[3-[(Propan-2-ylamino)methyl]oxolan-3-yl]methyl]piperidin-2-yl]methanol
CID 55056348
2-[1-[[4-(Methylaminomethyl)oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 55066329
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066617
3-[1-[2-Methyl-2-(methylaminomethyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 55076464
3-[1-[2-[(Cyclopropylamino)methyl]-2-methylbutyl]pyrrolidin-2-yl]propan-1-ol
CID 55076465
3-[1-[3-(Tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]propan-1-ol
CID 55076513
3-[1-[[1-(Methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 55076560
3-[1-[[4-(Methylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 55076561
8-[2-Ethyl-2-(ethylaminomethyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55237419
3-[1-[[3-(Aminomethyl)oxan-3-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 55242824
[1-[[3-(Ethylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol
CID 62261040
[1-[[3-(Propylaminomethyl)oxolan-3-yl]methyl]piperidin-2-yl]methanol
CID 62261041

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol (CID 62479395) is 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol is CCNCC1(CN2CCCC2CCCO)CCOCC1.
What is the InChIKey of 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is XEDYKJUAFUZJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-17-13-16(7-11-20-12-8-16)14-18-9-3-5-15(18)6-4-10-19/h15,17,19H,2-14H2,1H3.
What are the key properties of 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 284.44 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62479395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).