N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine

C15H25NO2 — CID 62456091

IUPACN-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COC1CCCC(C)C1
InChIInChI=1S/C15H25NO2/c1-3-16-10-15-13(7-8-17-15)11-18-14-6-4-5-12(2)9-14/h7-8,12,14,16H,3-6,9-11H2,1-2H3
InChIKeyNXBDDGSZAGTMEN-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.48
Rot. Bonds6

About N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine

N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine (PubChem CID 62456091) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
PubChem CID62456091
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COC1CCCC(C)C1
InChIInChI=1S/C15H25NO2/c1-3-16-10-15-13(7-8-17-15)11-18-14-6-4-5-12(2)9-14/h7-8,12,14,16H,3-6,9-11H2,1-2H3
InChIKeyNXBDDGSZAGTMEN-UHFFFAOYSA-N
XLogP3.48
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 55077959
N-[[3-[(1-methylpiperidin-4-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 55073433
N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 55077909
3-[(3-methylcyclohexyl)oxymethyl]furan-2-carboxylic acid
CID 43153163
N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62458623
N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
N-[[5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62456466
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-methylcyclopentanamine
CID 55074631
N-[[2-(oxolan-3-yloxymethyl)furan-3-yl]methyl]ethanamine
CID 63556926

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine (CID 62456091) is N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine is CCNCc1occc1COC1CCCC(C)C1.
What is the InChIKey of N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine?
The InChIKey is NXBDDGSZAGTMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-3-16-10-15-13(7-8-17-15)11-18-14-6-4-5-12(2)9-14/h7-8,12,14,16H,3-6,9-11H2,1-2H3.
What are the key properties of N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine?
N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62456091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).