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

C14H25NO2 — CID 55077940

IUPACN-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCCC(C)C)oc1C
InChIInChI=1S/C14H25NO2/c1-5-15-9-13-8-14(17-12(13)4)10-16-7-6-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyUUXKXZPANPESPE-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.26
Rot. Bonds8

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

N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine (PubChem CID 55077940) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
PubChem CID55077940
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COCCC(C)C)oc1C
InChIInChI=1S/C14H25NO2/c1-5-15-9-13-8-14(17-12(13)4)10-16-7-6-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3
InChIKeyUUXKXZPANPESPE-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.26
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-[[5-(heptoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62455820
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 103406053
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62459116
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796
N-[[5-(cyclopropylmethoxymethyl)-2-methylfuran-3-yl]methyl]ethanamine
CID 62457249
2-methyl-N-[[2-methyl-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 115942894
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62426427
N-[[5-[(4-chlorophenyl)methoxymethyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 65125800
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 103285697

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine (CID 55077940) is N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine is CCNCc1cc(COCCC(C)C)oc1C.
What is the InChIKey of N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine?
The InChIKey is UUXKXZPANPESPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-15-9-13-8-14(17-12(13)4)10-16-7-6-11(2)3/h8,11,15H,5-7,9-10H2,1-4H3.
What are the key properties of N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine?
N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(3-methylbutoxymethyl)furan-3-yl]methyl]ethanamine is sourced from PubChem (CID 55077940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).