N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

C15H28N2O3 — CID 82952579

IUPACN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1cc(CN)c(C)o1
InChIInChI=1S/C15H28N2O3/c1-4-18-8-6-17(7-9-19-5-2)12-15-10-14(11-16)13(3)20-15/h10H,4-9,11-12,16H2,1-3H3
InChIKeyRSRRJLPLKADATK-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.92
Rot. Bonds11

About N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine

N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (PubChem CID 82952579) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
PubChem CID82952579
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
SMILESCCOCCN(CCOCC)Cc1cc(CN)c(C)o1
InChIInChI=1S/C15H28N2O3/c1-4-18-8-6-17(7-9-19-5-2)12-15-10-14(11-16)13(3)20-15/h10H,4-9,11-12,16H2,1-3H3
InChIKeyRSRRJLPLKADATK-UHFFFAOYSA-N
XLogP1.92
TPSA60.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-ethyl-2-methoxyethanamine
CID 62436655
N'-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436717
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82953140
N-[2-[[4-(aminomethyl)-5-methylfuran-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505825
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63691429
2-ethoxy-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylethanamine
CID 81068757
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpentan-1-amine
CID 62420758
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 81068367
[5-(1-ethoxypropan-2-yloxymethyl)-2-methylfuran-3-yl]methanamine
CID 103490707
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 107557366
N-ethyl-2-methoxy-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62435593

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The IUPAC name of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine (CID 82952579) is N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is CCOCCN(CCOCC)Cc1cc(CN)c(C)o1.
What is the InChIKey of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
The InChIKey is RSRRJLPLKADATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-18-8-6-17(7-9-19-5-2)12-15-10-14(11-16)13(3)20-15/h10H,4-9,11-12,16H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine?
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine has a molecular weight of 284.40 g/mol, XLogP of 1.92, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine is sourced from PubChem (CID 82952579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).