N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine

C15H27NO2 — CID 62455259

IUPACN-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCCCCCCOCc1occc1CNCC
InChIInChI=1S/C15H27NO2/c1-3-5-6-7-8-10-17-13-15-14(9-11-18-15)12-16-4-2/h9,11,16H,3-8,10,12-13H2,1-2H3
InChIKeyMSQXKQAEBDAVEF-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.88
Rot. Bonds11

About N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine

N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine (PubChem CID 62455259) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
PubChem CID62455259
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCCCCCCOCc1occc1CNCC
InChIInChI=1S/C15H27NO2/c1-3-5-6-7-8-10-17-13-15-14(9-11-18-15)12-16-4-2/h9,11,16H,3-8,10,12-13H2,1-2H3
InChIKeyMSQXKQAEBDAVEF-UHFFFAOYSA-N
XLogP3.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.88
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-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62455635
N-[[2-(hexoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62456817
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
2-(hexoxymethyl)furan-3-carboxylic acid
CID 43477530
N-[[2-[(2-bromophenyl)methoxymethyl]furan-3-yl]methyl]ethanamine
CID 82825719
2-(octoxymethyl)furan-3-carbohydrazide
CID 63574840
N-[[2-(3,3-dimethylbutoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 66226372
N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858

Frequently Asked Questions

What is the IUPAC name of N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine (CID 62455259) is N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine is CCCCCCCOCc1occc1CNCC.
What is the InChIKey of N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is MSQXKQAEBDAVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-5-6-7-8-10-17-13-15-14(9-11-18-15)12-16-4-2/h9,11,16H,3-8,10,12-13H2,1-2H3.
What are the key properties of N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine?
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 62455259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).