N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

C18H33NO2 — CID 63490736

IUPACN-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCCCCCCOCc1cc(CNCC(C)C)oc1C
InChIInChI=1S/C18H33NO2/c1-5-6-7-8-9-10-20-14-17-11-18(21-16(17)4)13-19-12-15(2)3/h11,15,19H,5-10,12-14H2,1-4H3
InChIKeyJABGAMUWHPDHGB-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.82
Rot. Bonds12

About N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine

N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63490736) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63490736
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCCCCCCOCc1cc(CNCC(C)C)oc1C
InChIInChI=1S/C18H33NO2/c1-5-6-7-8-9-10-20-14-17-11-18(21-16(17)4)13-19-12-15(2)3/h11,15,19H,5-10,12-14H2,1-4H3
InChIKeyJABGAMUWHPDHGB-UHFFFAOYSA-N
XLogP4.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.82
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]-2-methylpropan-1-amine
CID 55072922
N-[[4-[3-(dimethylamino)propoxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459346
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
N-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62459116
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
N-[[5-(hexoxymethyl)thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558203
2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 115942894

Frequently Asked Questions

What is the IUPAC name of N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine (CID 63490736) is N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is CCCCCCCOCc1cc(CNCC(C)C)oc1C.
What is the InChIKey of N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is JABGAMUWHPDHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-6-7-8-9-10-20-14-17-11-18(21-16(17)4)13-19-12-15(2)3/h11,15,19H,5-10,12-14H2,1-4H3.
What are the key properties of N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.82, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(heptoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63490736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).