4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol

C14H27NO2 — CID 75504707

IUPAC4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)C2CCCO2)CC1
InChIInChI=1S/C14H27NO2/c1-11-5-7-14(16,8-6-11)10-15-12(2)13-4-3-9-17-13/h11-13,15-16H,3-10H2,1-2H3
InChIKeyHQHBSGXGKQVBFK-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds4

About 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol

4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 75504707) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID75504707
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)C2CCCO2)CC1
InChIInChI=1S/C14H27NO2/c1-11-5-7-14(16,8-6-11)10-15-12(2)13-4-3-9-17-13/h11-13,15-16H,3-10H2,1-2H3
InChIKeyHQHBSGXGKQVBFK-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 75504707) is 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNC(C)C2CCCO2)CC1.
What is the InChIKey of 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is HQHBSGXGKQVBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-5-7-14(16,8-6-11)10-15-12(2)13-4-3-9-17-13/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 4-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol?
4-methyl-1-[[1-(oxolan-2-yl)ethylamino]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-methyl-1-[[1-(oxolan-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 75504707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).