3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol

C13H21NO2 — CID 115654567

IUPAC3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(CNCC2CCCC(O)C2)o1
InChIInChI=1S/C13H21NO2/c1-10-5-6-13(16-10)9-14-8-11-3-2-4-12(15)7-11/h5-6,11-12,14-15H,2-4,7-9H2,1H3
InChIKeyAHGWUTKJFHKMKM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.23
Rot. Bonds4

About 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol

3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 115654567) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID115654567
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCc1ccc(CNCC2CCCC(O)C2)o1
InChIInChI=1S/C13H21NO2/c1-10-5-6-13(16-10)9-14-8-11-3-2-4-12(15)7-11/h5-6,11-12,14-15H,2-4,7-9H2,1H3
InChIKeyAHGWUTKJFHKMKM-UHFFFAOYSA-N
XLogP2.23
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 54899981
3-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270923
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[(1,3-oxazol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106124531
3-[[(2,4-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699981
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
N-[(5-methylfuran-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79610199
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 111467497

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 115654567) is 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol is Cc1ccc(CNCC2CCCC(O)C2)o1.
What is the InChIKey of 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is AHGWUTKJFHKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-5-6-13(16-10)9-14-8-11-3-2-4-12(15)7-11/h5-6,11-12,14-15H,2-4,7-9H2,1H3.
What are the key properties of 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol?
3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 115654567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).