[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol

C15H25NO2 — CID 81412663

IUPAC[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCc1ccc(C(C)NCC2(CO)CCCCC2)o1
InChIInChI=1S/C15H25NO2/c1-12-6-7-14(18-12)13(2)16-10-15(11-17)8-4-3-5-9-15/h6-7,13,16-17H,3-5,8-11H2,1-2H3
InChIKeyKIWBYLBSSNNUQB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.18
Rot. Bonds5

About [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 81412663) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID81412663
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCc1ccc(C(C)NCC2(CO)CCCCC2)o1
InChIInChI=1S/C15H25NO2/c1-12-6-7-14(18-12)13(2)16-10-15(11-17)8-4-3-5-9-15/h6-7,13,16-17H,3-5,8-11H2,1-2H3
InChIKeyKIWBYLBSSNNUQB-UHFFFAOYSA-N
XLogP3.18
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol (CID 81412663) is [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol is Cc1ccc(C(C)NCC2(CO)CCCCC2)o1.
What is the InChIKey of [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is KIWBYLBSSNNUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-6-7-14(18-12)13(2)16-10-15(11-17)8-4-3-5-9-15/h6-7,13,16-17H,3-5,8-11H2,1-2H3.
What are the key properties of [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).