N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine

C18H33NO2 — CID 63492477

IUPACN-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCCCCCCC(C)OCc1cc(CNC(C)C)oc1C
InChIInChI=1S/C18H33NO2/c1-6-7-8-9-10-15(4)20-13-17-11-18(21-16(17)5)12-19-14(2)3/h11,14-15,19H,6-10,12-13H2,1-5H3
InChIKeyIUKMISBLEPKJAT-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.96
Rot. Bonds11

About N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine

N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 63492477) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID63492477
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCCCCCCC(C)OCc1cc(CNC(C)C)oc1C
InChIInChI=1S/C18H33NO2/c1-6-7-8-9-10-15(4)20-13-17-11-18(21-16(17)5)12-19-14(2)3/h11,14-15,19H,6-10,12-13H2,1-5H3
InChIKeyIUKMISBLEPKJAT-UHFFFAOYSA-N
XLogP4.96
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.96
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-(2-ethoxyethoxymethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62443740
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63490736
N-[[5-methyl-4-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80720806
N-[[4-[(dimethylamino)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62417062
N-[[5-methyl-4-[[methyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 55069990
2-(octan-2-yloxymethyl)aniline
CID 43127032
N-[[5-methyl-4-(octan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 80719992
N-[[4-[(2-bromo-4-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62460704
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
CID 62456814
1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine
CID 62019677
[4-(1-ethoxypropan-2-yloxymethyl)-5-methylfuran-2-yl]methanamine
CID 103490685

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine (CID 63492477) is N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine is CCCCCCC(C)OCc1cc(CNC(C)C)oc1C.
What is the InChIKey of N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is IUKMISBLEPKJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-6-7-8-9-10-15(4)20-13-17-11-18(21-16(17)5)12-19-14(2)3/h11,14-15,19H,6-10,12-13H2,1-5H3.
What are the key properties of N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63492477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).