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

C14H20N2O — CID 80701115

IUPACN-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-16(2)9-5-8-15-10-12-11-17-14-7-4-3-6-13(12)14/h3-4,6-7,11,15H,5,8-10H2,1-2H3
InChIKeyHLWHVYNUFAIYGJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.47
Rot. Bonds6

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

N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 80701115) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID80701115
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCc1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-16(2)9-5-8-15-10-12-11-17-14-7-4-3-6-13(12)14/h3-4,6-7,11,15H,5,8-10H2,1-2H3
InChIKeyHLWHVYNUFAIYGJ-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-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 80701629
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43392179
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
N-(1-benzofuran-2-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 28618146

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine (CID 80701115) is N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HLWHVYNUFAIYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(2)9-5-8-15-10-12-11-17-14-7-4-3-6-13(12)14/h3-4,6-7,11,15H,5,8-10H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
N-(1-benzofuran-3-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-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 80701115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).