N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine

C12H22N2O2 — CID 114820560

IUPACN-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCOCCNCCCNCc1coc(C)c1
InChIInChI=1S/C12H22N2O2/c1-11-8-12(10-16-11)9-14-5-3-4-13-6-7-15-2/h8,10,13-14H,3-7,9H2,1-2H3
InChIKeyGWFXBYOMOZKMSQ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds9

About N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine

N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine (PubChem CID 114820560) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
PubChem CID114820560
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
SMILESCOCCNCCCNCc1coc(C)c1
InChIInChI=1S/C12H22N2O2/c1-11-8-12(10-16-11)9-14-5-3-4-13-6-7-15-2/h8,10,13-14H,3-7,9H2,1-2H3
InChIKeyGWFXBYOMOZKMSQ-UHFFFAOYSA-N
XLogP1.30
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
CID 114820503
N'-[(5-methylfuran-3-yl)methyl]-N-propylethane-1,2-diamine
CID 114820512
N-[(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820468
N',N'-dimethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820562
N',N'-diethyl-N-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 114820563
N'-[(3-bromo-4-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 107951104
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
2-methoxy-N-[(5-methylthiophen-3-yl)methyl]ethanamine
CID 65104473
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62447474

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine (CID 114820560) is N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine is COCCNCCCNCc1coc(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine?
The InChIKey is GWFXBYOMOZKMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11-8-12(10-16-11)9-14-5-3-4-13-6-7-15-2/h8,10,13-14H,3-7,9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine?
N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N'-[(5-methylfuran-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 114820560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).