[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine

C13H21NO2 — CID 62455722

IUPAC[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
SMILESCC1CCCC(OCc2ccc(CN)o2)C1
InChIInChI=1S/C13H21NO2/c1-10-3-2-4-11(7-10)15-9-13-6-5-12(8-14)16-13/h5-6,10-11H,2-4,7-9,14H2,1H3
InChIKeyXLMAPGBGQRWJCY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.83
Rot. Bonds4

About [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine

[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine (PubChem CID 62455722) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
PubChem CID62455722
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
SMILESCC1CCCC(OCc2ccc(CN)o2)C1
InChIInChI=1S/C13H21NO2/c1-10-3-2-4-11(7-10)15-9-13-6-5-12(8-14)16-13/h5-6,10-11H,2-4,7-9,14H2,1H3
InChIKeyXLMAPGBGQRWJCY-UHFFFAOYSA-N
XLogP2.83
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methylcyclohexyl)oxymethyl]furan-2-carbohydrazide
CID 55213213
[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 55078007
4-chloro-2-[(3-methylcyclohexyl)oxymethyl]aniline
CID 79582982
N-[[5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62456466
trimethyl-[4-[(3-methylcyclohexyl)oxymethyl]phenyl]silane
CID 103438651
3-[(3-methylcyclohexyl)oxymethyl]furan-2-carboxylic acid
CID 43153163
3-[(5-bromofuran-2-yl)methoxy]cyclohexan-1-amine
CID 79465805
N-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 55077959
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
5-bromo-2-[(3-methylcyclohexyl)oxymethyl]pyridine
CID 104809801
2-methyl-5-[[(1S,3R)-3-methylcyclohexyl]oxymethyl]-1,3,4-oxadiazole
CID 161499473
5-(cyclobutyloxymethyl)furan-2-carbohydrazide
CID 63568578

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine (CID 62455722) is [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine is CC1CCCC(OCc2ccc(CN)o2)C1.
What is the InChIKey of [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine?
The InChIKey is XLMAPGBGQRWJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-3-2-4-11(7-10)15-9-13-6-5-12(8-14)16-13/h5-6,10-11H,2-4,7-9,14H2,1H3.
What are the key properties of [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine?
[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine is sourced from PubChem (CID 62455722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).