[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol

C15H25NO2 — CID 79134973

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(C)o2)CC1
InChIInChI=1S/C15H25NO2/c1-3-12-6-8-15(10-16,9-7-12)14(17)13-5-4-11(2)18-13/h4-5,12,14,17H,3,6-10,16H2,1-2H3
InChIKeyIUDNZUZEEGINTB-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.17
Rot. Bonds4

About [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol (PubChem CID 79134973) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
PubChem CID79134973
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
SMILESCCC1CCC(CN)(C(O)c2ccc(C)o2)CC1
InChIInChI=1S/C15H25NO2/c1-3-12-6-8-15(10-16,9-7-12)14(17)13-5-4-11(2)18-13/h4-5,12,14,17H,3,6-10,16H2,1-2H3
InChIKeyIUDNZUZEEGINTB-UHFFFAOYSA-N
XLogP3.17
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol (CID 79134973) is [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol is CCC1CCC(CN)(C(O)c2ccc(C)o2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol?
The InChIKey is IUDNZUZEEGINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-12-6-8-15(10-16,9-7-12)14(17)13-5-4-11(2)18-13/h4-5,12,14,17H,3,6-10,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol has a molecular weight of 251.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol is sourced from PubChem (CID 79134973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).