3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol

C14H24N2O2 — CID 106100066

IUPAC3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol
SMILESCCn1c(C)cc(CNCC2(O)CCOC2)c1C
InChIInChI=1S/C14H24N2O2/c1-4-16-11(2)7-13(12(16)3)8-15-9-14(17)5-6-18-10-14/h7,15,17H,4-6,8-10H2,1-3H3
InChIKeyLZURZYSLBQNHEQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.37
Rot. Bonds5

About 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol

3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol (PubChem CID 106100066) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol
PubChem CID106100066
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol
SMILESCCn1c(C)cc(CNCC2(O)CCOC2)c1C
InChIInChI=1S/C14H24N2O2/c1-4-16-11(2)7-13(12(16)3)8-15-9-14(17)5-6-18-10-14/h7,15,17H,4-6,8-10H2,1-3H3
InChIKeyLZURZYSLBQNHEQ-UHFFFAOYSA-N
XLogP1.37
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-chloro-4-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100587
3-[[(4-fluoro-2-methylphenyl)methylamino]methyl]oxolan-3-ol
CID 113337855
4-[[(3-hydroxyoxolan-3-yl)methylamino]methyl]benzene-1,3-diol
CID 113337838
3-[[(2-ethylpyrazol-3-yl)methylamino]methyl]oxolan-3-ol
CID 115765922
3-[[(1-ethylimidazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 103848413
3-[[(3-ethylimidazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 106099901
3-[[(3,5-difluorophenyl)methylamino]methyl]oxolan-3-ol
CID 113338500
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79611444
2-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]phenol
CID 114331585
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]oxolan-3-ol
CID 115765976
3-[[(2,3,4-trimethoxyphenyl)methylamino]methyl]oxolan-3-ol
CID 103848244
3-[[(4-trimethylsilylphenyl)methylamino]methyl]oxolan-3-ol
CID 106100480

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol (CID 106100066) is 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol is CCn1c(C)cc(CNCC2(O)CCOC2)c1C.
What is the InChIKey of 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol?
The InChIKey is LZURZYSLBQNHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-16-11(2)7-13(12(16)3)8-15-9-14(17)5-6-18-10-14/h7,15,17H,4-6,8-10H2,1-3H3.
What are the key properties of 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol?
3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol has a molecular weight of 252.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 106100066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).