N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine

C13H24N2O — CID 62438844

IUPACN-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN(CC)CC
InChIInChI=1S/C13H24N2O/c1-4-8-14-10-13-12(7-9-16-13)11-15(5-2)6-3/h7,9,14H,4-6,8,10-11H2,1-3H3
InChIKeyVJEIZMZXHUCIOE-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.62
Rot. Bonds8

About N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62438844) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62438844
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN(CC)CC
InChIInChI=1S/C13H24N2O/c1-4-8-14-10-13-12(7-9-16-13)11-15(5-2)6-3/h7,9,14H,4-6,8,10-11H2,1-3H3
InChIKeyVJEIZMZXHUCIOE-UHFFFAOYSA-N
XLogP2.62
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(diethylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62438666
N-ethyl-2-methyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 62418025
N,2-dimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]butan-2-amine
CID 63964105
N,2,2-trimethyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62462443
N-[[3-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411816
N-[[3-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62461529
3-methoxy-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 63008845
1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
CID 62436022
2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62434727
N-[[3-[[ethyl(propyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62420289
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine (CID 62438844) is N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1CN(CC)CC.
What is the InChIKey of N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is VJEIZMZXHUCIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-8-14-10-13-12(7-9-16-13)11-15(5-2)6-3/h7,9,14H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 224.35 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62438844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).