4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol

C14H27NO2 — CID 106127626

IUPAC4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CC(NCC2CCC(O)CC2)CCO1
InChIInChI=1S/C14H27NO2/c1-2-14-9-12(7-8-17-14)15-10-11-3-5-13(16)6-4-11/h11-16H,2-10H2,1H3
InChIKeySCEPOQOXJHHDMT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds4

About 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol

4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106127626) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106127626
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CC(NCC2CCC(O)CC2)CCO1
InChIInChI=1S/C14H27NO2/c1-2-14-9-12(7-8-17-14)15-10-11-3-5-13(16)6-4-11/h11-16H,2-10H2,1H3
InChIKeySCEPOQOXJHHDMT-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Pyrrolidin-2-yl)oxan-4-ol
CID 79559823
4-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
CID 106133610
cis-(1R,2S)-2-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724502
trans-(1R,2R)-2-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724503
2-[(Propan-2-ylamino)methyl]cyclohexan-1-ol
CID 12724504
4-[(Piperidin-2-ylmethylamino)methyl]cyclohexan-1-ol
CID 19846016
2-Ethyl-4-piperidin-2-ylbutane-1,3-diol
CID 21429707
3-[(4-Methylcyclohexyl)oxymethyl]piperidine
CID 24705619
4-[[7-[(2-Methylpropan-2-yl)oxy]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]heptan-2-yl]amino]butan-2-ol
CID 57291697
4-[(Propan-2-ylamino)methyl]cyclohexan-1-ol
CID 58786881
4-[(Tert-butylamino)methyl]cyclohexan-1-ol
CID 59867979
4-(Propylaminomethyl)cyclohexan-1-ol
CID 67163959

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol (CID 106127626) is 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol is CCC1CC(NCC2CCC(O)CC2)CCO1.
What is the InChIKey of 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is SCEPOQOXJHHDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-14-9-12(7-8-17-14)15-10-11-3-5-13(16)6-4-11/h11-16H,2-10H2,1H3.
What are the key properties of 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106127626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).