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

C13H24N2O2 — CID 62447474

IUPACN-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN(C)CCOC)c1
InChIInChI=1S/C13H24N2O2/c1-4-5-14-9-12-8-13(17-11-12)10-15(2)6-7-16-3/h8,11,14H,4-7,9-10H2,1-3H3
InChIKeyNZOQXDSCZYPBMG-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.86
Rot. Bonds9

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

N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62447474) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62447474
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1coc(CN(C)CCOC)c1
InChIInChI=1S/C13H24N2O2/c1-4-5-14-9-12-8-13(17-11-12)10-15(2)6-7-16-3/h8,11,14H,4-7,9-10H2,1-3H3
InChIKeyNZOQXDSCZYPBMG-UHFFFAOYSA-N
XLogP1.86
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

3-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 63007586
N-(2-methoxyethyl)-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62434699
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 55072380
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153
N,2-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 63967204
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63838095
N,4-dimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]cyclohexan-1-amine
CID 62412493
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63682543
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-2-methoxy-N-methylpropan-1-amine
CID 112754632
2-methoxy-N-[(5-methylfuran-3-yl)methyl]ethanamine
CID 114820503

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (CID 62447474) is N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1coc(CN(C)CCOC)c1.
What is the InChIKey of N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is NZOQXDSCZYPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-14-9-12-8-13(17-11-12)10-15(2)6-7-16-3/h8,11,14H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 240.35 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-methoxyethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62447474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).