[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol

C13H21NO2 — CID 79137897

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol
SMILESCC1CCC(CN)(C(O)c2ccoc2)CC1
InChIInChI=1S/C13H21NO2/c1-10-2-5-13(9-14,6-3-10)12(15)11-4-7-16-8-11/h4,7-8,10,12,15H,2-3,5-6,9,14H2,1H3
InChIKeyPWQFPUGIZVMMBL-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.47
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol

[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol (PubChem CID 79137897) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol
PubChem CID79137897
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol
SMILESCC1CCC(CN)(C(O)c2ccoc2)CC1
InChIInChI=1S/C13H21NO2/c1-10-2-5-13(9-14,6-3-10)12(15)11-4-7-16-8-11/h4,7-8,10,12,15H,2-3,5-6,9,14H2,1H3
InChIKeyPWQFPUGIZVMMBL-UHFFFAOYSA-N
XLogP2.47
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol (CID 79137897) is [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol is CC1CCC(CN)(C(O)c2ccoc2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol?
The InChIKey is PWQFPUGIZVMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-2-5-13(9-14,6-3-10)12(15)11-4-7-16-8-11/h4,7-8,10,12,15H,2-3,5-6,9,14H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol?
[1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(furan-3-yl)methanol is sourced from PubChem (CID 79137897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).