N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine

C18H31NO2 — CID 62443965

IUPACN-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC2CCCCC2CC)c(C)o1
InChIInChI=1S/C18H31NO2/c1-4-10-19-12-17-11-16(14(3)21-17)13-20-18-9-7-6-8-15(18)5-2/h11,15,18-19H,4-10,12-13H2,1-3H3
InChIKeyNOAZPQYSKHBPSG-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.57
Rot. Bonds8

About N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine

N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine (PubChem CID 62443965) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
PubChem CID62443965
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(COC2CCCCC2CC)c(C)o1
InChIInChI=1S/C18H31NO2/c1-4-10-19-12-17-11-16(14(3)21-17)13-20-18-9-7-6-8-15(18)5-2/h11,15,18-19H,4-10,12-13H2,1-3H3
InChIKeyNOAZPQYSKHBPSG-UHFFFAOYSA-N
XLogP4.57
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.57
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
[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
CID 62445112
N-[[5-[(2-ethylcyclohexyl)oxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62445490
N-[[2-[(2-ethylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 63491769
N-[[5-(cyclohexyloxymethyl)-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62445186
4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-carboxylic acid
CID 62274302
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cyclopentanamine
CID 62419092
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]cycloheptanamine
CID 62434059
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
N-[[5-methyl-4-[(2-methylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728764
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-[[4-[(3-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62432159

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine (CID 62443965) is N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine is CCCNCc1cc(COC2CCCCC2CC)c(C)o1.
What is the InChIKey of N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
The InChIKey is NOAZPQYSKHBPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-4-10-19-12-17-11-16(14(3)21-17)13-20-18-9-7-6-8-15(18)5-2/h11,15,18-19H,4-10,12-13H2,1-3H3.
What are the key properties of N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine?
N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62443965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).