[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine

C14H27NO2 — CID 65051716

IUPAC[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
SMILESCCC1CCC(OC2(CN)CCCOC2)CC1
InChIInChI=1S/C14H27NO2/c1-2-12-4-6-13(7-5-12)17-14(10-15)8-3-9-16-11-14/h12-13H,2-11,15H2,1H3
InChIKeyPVPAXIVVHWNODR-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.48
Rot. Bonds4

About [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine

[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine (PubChem CID 65051716) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
PubChem CID65051716
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
SMILESCCC1CCC(OC2(CN)CCCOC2)CC1
InChIInChI=1S/C14H27NO2/c1-2-12-4-6-13(7-5-12)17-14(10-15)8-3-9-16-11-14/h12-13H,2-11,15H2,1H3
InChIKeyPVPAXIVVHWNODR-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051664
(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
CID 62110904
(1-ethoxy-4-ethylcycloheptyl)methanamine
CID 66073194
(3-hexoxyoxan-3-yl)methanamine
CID 65051462
(1-ethoxy-3-ethylcyclohexyl)methanamine
CID 66072990
[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 55036284
1-cyclopropyloxy-4-ethyl-1-(iodomethyl)cyclohexane
CID 165495011
[1-(oxolan-3-yloxy)cycloheptyl]methanamine
CID 63558677
[3-(4-methoxybutoxy)oxan-3-yl]methanamine
CID 104646740
[1-(oxetan-3-yloxy)-4-propylcyclohexyl]methanamine
CID 115669701
3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 114524598
[4-methyl-1-(4-methylcyclohexyl)oxycyclohexyl]methanamine
CID 62107560

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine?
The IUPAC name of [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine (CID 65051716) is [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine.
What is the SMILES notation for [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine?
The canonical SMILES for [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine is CCC1CCC(OC2(CN)CCCOC2)CC1.
What is the InChIKey of [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine?
The InChIKey is PVPAXIVVHWNODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-12-4-6-13(7-5-12)17-14(10-15)8-3-9-16-11-14/h12-13H,2-11,15H2,1H3.
What are the key properties of [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine?
[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine has a molecular weight of 241.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine is sourced from PubChem (CID 65051716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).