N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine

C16H27NO2 — CID 62445186

IUPACN-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC2CCCCC2)oc1C
InChIInChI=1S/C16H27NO2/c1-3-9-17-11-14-10-16(19-13(14)2)12-18-15-7-5-4-6-8-15/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyMYTKPVSAHTVVGD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.94
Rot. Bonds7

About N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine

N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine (PubChem CID 62445186) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
PubChem CID62445186
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC2CCCCC2)oc1C
InChIInChI=1S/C16H27NO2/c1-3-9-17-11-14-10-16(19-13(14)2)12-18-15-7-5-4-6-8-15/h10,15,17H,3-9,11-12H2,1-2H3
InChIKeyMYTKPVSAHTVVGD-UHFFFAOYSA-N
XLogP3.94
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(cyclohexyloxymethyl)-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62444819
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62445373
N-[[2-methyl-5-[(1-methylpiperidin-4-yl)oxymethyl]furan-3-yl]methyl]ethanamine
CID 62443209
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62443965
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62445490
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[4-[5-methyl-4-(propylaminomethyl)furan-2-yl]butyl]cyclopropanamine
CID 66337351
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[5-[(2-chlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62452838
N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 103285697
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine (CID 62445186) is N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine is CCCNCc1cc(COC2CCCCC2)oc1C.
What is the InChIKey of N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine?
The InChIKey is MYTKPVSAHTVVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-9-17-11-14-10-16(19-13(14)2)12-18-15-7-5-4-6-8-15/h10,15,17H,3-9,11-12H2,1-2H3.
What are the key properties of N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine?
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62445186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).