4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol

C14H27NO2 — CID 79033062

IUPAC4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
SMILESCCC1CCCC(NCC2(O)CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-12-4-3-5-13(10-12)15-11-14(16)6-8-17-9-7-14/h12-13,15-16H,2-11H2,1H3
InChIKeyOBTPNFZKQKPJTE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.09
Rot. Bonds4

About 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol

4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol (PubChem CID 79033062) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
PubChem CID79033062
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
SMILESCCC1CCCC(NCC2(O)CCOCC2)C1
InChIInChI=1S/C14H27NO2/c1-2-12-4-3-5-13(10-12)15-11-14(16)6-8-17-9-7-14/h12-13,15-16H,2-11H2,1H3
InChIKeyOBTPNFZKQKPJTE-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol (CID 79033062) is 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol is CCC1CCCC(NCC2(O)CCOCC2)C1.
What is the InChIKey of 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol?
The InChIKey is OBTPNFZKQKPJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-12-4-3-5-13(10-12)15-11-14(16)6-8-17-9-7-14/h12-13,15-16H,2-11H2,1H3.
What are the key properties of 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol?
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol has a molecular weight of 241.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 79033062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).