N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine

C15H27NO2 — CID 62456796

IUPACN-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COCCCC(C)C)cc1C
InChIInChI=1S/C15H27NO2/c1-5-16-10-15-13(4)9-14(18-15)11-17-8-6-7-12(2)3/h9,12,16H,5-8,10-11H2,1-4H3
InChIKeyJEQSGYNQTALBHE-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.65
Rot. Bonds9

About N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine

N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine (PubChem CID 62456796) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
PubChem CID62456796
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1oc(COCCCC(C)C)cc1C
InChIInChI=1S/C15H27NO2/c1-5-16-10-15-13(4)9-14(18-15)11-17-8-6-7-12(2)3/h9,12,16H,5-8,10-11H2,1-4H3
InChIKeyJEQSGYNQTALBHE-UHFFFAOYSA-N
XLogP3.65
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.65
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-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
N-[[5-(2-ethoxyethoxymethyl)-3-methylfuran-2-yl]methyl]ethanamine
CID 62444712
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
N-[[5-(3-methoxypropoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073533
N-[[3-methyl-5-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]ethanamine
CID 62450592
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
CID 55077940
N-[[3-methyl-5-(2-pyrrolidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62460388
N-[[3-methyl-5-(2-piperidin-1-ylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62458800
2-methyl-N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457691
N-[[3-methyl-5-(propoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62451338
N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457294
2-methyl-N-[[3-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62446258

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine (CID 62456796) is N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine is CCNCc1oc(COCCCC(C)C)cc1C.
What is the InChIKey of N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is JEQSGYNQTALBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-5-16-10-15-13(4)9-14(18-15)11-17-8-6-7-12(2)3/h9,12,16H,5-8,10-11H2,1-4H3.
What are the key properties of N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine?
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62456796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).