N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine

C15H27NO4 — CID 103401729

IUPACN-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCCOCCOC)o1
InChIInChI=1S/C15H27NO4/c1-3-7-16-12-14-5-6-15(20-14)13-19-9-4-8-18-11-10-17-2/h5-6,16H,3-4,7-13H2,1-2H3
InChIKeyJLTWSWKBSOXGSL-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.35
Rot. Bonds13

About N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 103401729) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
PubChem CID103401729
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC NameN-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCCOCCOC)o1
InChIInChI=1S/C15H27NO4/c1-3-7-16-12-14-5-6-15(20-14)13-19-9-4-8-18-11-10-17-2/h5-6,16H,3-4,7-13H2,1-2H3
InChIKeyJLTWSWKBSOXGSL-UHFFFAOYSA-N
XLogP2.35
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.35
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-[[5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55077409
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 103401859
N-[[5-[(4-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62456496
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
N-[[5-(furan-2-ylmethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 55073492
2-methyl-N-[[5-(pentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62449718
3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62436150
methyl 5-[[4-(2-methoxyethoxy)butylamino]methyl]furan-2-carboxylate
CID 115905245
3-[[5-(methoxymethyl)furan-2-yl]methylamino]propan-1-ol
CID 115710395
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
N-[[5-(octadecoxymethyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 130327903

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine (CID 103401729) is N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(COCCCOCCOC)o1.
What is the InChIKey of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is JLTWSWKBSOXGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-3-7-16-12-14-5-6-15(20-14)13-19-9-4-8-18-11-10-17-2/h5-6,16H,3-4,7-13H2,1-2H3.
What are the key properties of N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 2.35, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 103401729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).