N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine

C14H20N2O — CID 28618146

IUPACN-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cc2ccccc2o1
InChIInChI=1S/C14H20N2O/c1-16(2)9-5-8-15-11-13-10-12-6-3-4-7-14(12)17-13/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3
InChIKeyKVWMEALFBMXFSI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.47
Rot. Bonds6

About N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine

N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 28618146) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID28618146
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1cc2ccccc2o1
InChIInChI=1S/C14H20N2O/c1-16(2)9-5-8-15-11-13-10-12-6-3-4-7-14(12)17-13/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3
InChIKeyKVWMEALFBMXFSI-UHFFFAOYSA-N
XLogP2.47
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.47
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-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
N-(1-benzofuran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
CID 28657641
N-(1-benzofuran-2-ylmethyl)-2-ethylsulfinylethanamine
CID 113237590
N-[4-(1-benzofuran-2-ylmethylamino)butyl]benzamide
CID 139655415
N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 54196974
N-(1-benzofuran-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 29276863
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
N-(1-benzofuran-2-ylmethyl)-N'-(1,2-benzothiazol-3-yl)propane-1,3-diamine
CID 58727177
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 28833124
1-[[3-(dimethylamino)propylamino]methyl]benzo[f]chromen-3-one
CID 4858068
N-(1-benzofuran-2-ylmethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 115699157
ethyl 3-(1-benzofuran-2-ylmethylamino)propanoate
CID 53397244

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine (CID 28618146) is N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1cc2ccccc2o1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KVWMEALFBMXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(2)9-5-8-15-11-13-10-12-6-3-4-7-14(12)17-13/h3-4,6-7,10,15H,5,8-9,11H2,1-2H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 28618146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).