4-(ethylaminomethyl)oxan-4-ol

C8H17NO2 — CID 62774884

IUPAC4-(ethylaminomethyl)oxan-4-ol
SMILESCCNCC1(O)CCOCC1
InChIInChI=1S/C8H17NO2/c1-2-9-7-8(10)3-5-11-6-4-8/h9-10H,2-7H2,1H3
InChIKeyJKXXMCLGLHSNTA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.14
Rot. Bonds3

About 4-(ethylaminomethyl)oxan-4-ol

4-(ethylaminomethyl)oxan-4-ol (PubChem CID 62774884) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(ethylaminomethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(ethylaminomethyl)oxan-4-ol
PubChem CID62774884
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(ethylaminomethyl)oxan-4-ol
SMILESCCNCC1(O)CCOCC1
InChIInChI=1S/C8H17NO2/c1-2-9-7-8(10)3-5-11-6-4-8/h9-10H,2-7H2,1H3
InChIKeyJKXXMCLGLHSNTA-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)oxan-4-ol?
The IUPAC name of 4-(ethylaminomethyl)oxan-4-ol (CID 62774884) is 4-(ethylaminomethyl)oxan-4-ol.
What is the SMILES notation for 4-(ethylaminomethyl)oxan-4-ol?
The canonical SMILES for 4-(ethylaminomethyl)oxan-4-ol is CCNCC1(O)CCOCC1.
What is the InChIKey of 4-(ethylaminomethyl)oxan-4-ol?
The InChIKey is JKXXMCLGLHSNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-9-7-8(10)3-5-11-6-4-8/h9-10H,2-7H2,1H3.
What are the key properties of 4-(ethylaminomethyl)oxan-4-ol?
4-(ethylaminomethyl)oxan-4-ol has a molecular weight of 159.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)oxan-4-ol is sourced from PubChem (CID 62774884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).