3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine

C16H30N2O3 — CID 62436150

IUPAC3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(CCCOC)CCOC)o1
InChIInChI=1S/C16H30N2O3/c1-4-8-17-13-15-6-7-16(21-15)14-18(10-12-20-3)9-5-11-19-2/h6-7,17H,4-5,8-14H2,1-3H3
InChIKeyDDWJJOGAGQUXDK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds13

About 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine

3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62436150) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62436150
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(CCCOC)CCOC)o1
InChIInChI=1S/C16H30N2O3/c1-4-8-17-13-15-6-7-16(21-15)14-18(10-12-20-3)9-5-11-19-2/h6-7,17H,4-5,8-14H2,1-3H3
InChIKeyDDWJJOGAGQUXDK-UHFFFAOYSA-N
XLogP2.26
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.26
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

[5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-yl]methanol
CID 112548864
3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62435794
5-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-2-carbaldehyde
CID 113372293
3-methoxy-N-[[5-(methoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 115710392
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 103401729
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62462478
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62435770
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
[5-[(3-methoxypropylamino)methyl]furan-2-yl]methanol
CID 64577829
N'-(2-methoxyethyl)-N'-(3-methoxypropyl)-N-propylpentane-1,5-diamine
CID 62435798
5-[[bis(2-methoxyethyl)amino]methyl]furan-2-carbohydrazide
CID 63578022
N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62429791

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine (CID 62436150) is 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN(CCCOC)CCOC)o1.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is DDWJJOGAGQUXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-8-17-13-15-6-7-16(21-15)14-18(10-12-20-3)9-5-11-19-2/h6-7,17H,4-5,8-14H2,1-3H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 298.43 g/mol, XLogP of 2.26, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62436150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).