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

C16H30N2O3 — CID 62435794

IUPAC3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN(CCCOC)CCOC
InChIInChI=1S/C16H30N2O3/c1-4-7-17-13-15-6-11-21-16(15)14-18(9-12-20-3)8-5-10-19-2/h6,11,17H,4-5,7-10,12-14H2,1-3H3
InChIKeyXCMPLAOWGTUPLF-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.26
Rot. Bonds13

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

3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62435794) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62435794
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN(CCCOC)CCOC
InChIInChI=1S/C16H30N2O3/c1-4-7-17-13-15-6-11-21-16(15)14-18(9-12-20-3)8-5-10-19-2/h6,11,17H,4-5,7-10,12-14H2,1-3H3
InChIKeyXCMPLAOWGTUPLF-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

3-methoxy-N-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63008130
N-[[2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62435969
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
3-methoxy-N-(2-methoxyethyl)-N-[[5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62436150
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
N-ethyl-2-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62418025
N-[[2-[[methyl(2-methylsulfanylethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 112665475
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[[3-[[bis(2-methoxyethyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62462675
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62438844
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390
N-[[2-[[2-methoxyethyl(prop-2-enyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 103340346

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine (CID 62435794) is 3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1ccoc1CN(CCCOC)CCOC.
What is the InChIKey of 3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is XCMPLAOWGTUPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-7-17-13-15-6-11-21-16(15)14-18(9-12-20-3)8-5-10-19-2/h6,11,17H,4-5,7-10,12-14H2,1-3H3.
What are the key properties of 3-methoxy-N-(2-methoxyethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine?
3-methoxy-N-(2-methoxyethyl)-N-[[3-(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-[[3-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62435794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).