[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol

C12H19NO2 — CID 79138649

IUPAC[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol
SMILESNCC1(C(O)c2ccoc2)CCCCC1
InChIInChI=1S/C12H19NO2/c13-9-12(5-2-1-3-6-12)11(14)10-4-7-15-8-10/h4,7-8,11,14H,1-3,5-6,9,13H2
InChIKeyTZYKPSRMBORQMD-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.22
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol

[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol (PubChem CID 79138649) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol
PubChem CID79138649
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol
SMILESNCC1(C(O)c2ccoc2)CCCCC1
InChIInChI=1S/C12H19NO2/c13-9-12(5-2-1-3-6-12)11(14)10-4-7-15-8-10/h4,7-8,11,14H,1-3,5-6,9,13H2
InChIKeyTZYKPSRMBORQMD-UHFFFAOYSA-N
XLogP2.22
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol (CID 79138649) is [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol is NCC1(C(O)c2ccoc2)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol?
The InChIKey is TZYKPSRMBORQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-9-12(5-2-1-3-6-12)11(14)10-4-7-15-8-10/h4,7-8,11,14H,1-3,5-6,9,13H2.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol?
[1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol has a molecular weight of 209.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(furan-3-yl)methanol is sourced from PubChem (CID 79138649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).