1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine

C14H20N2O — CID 116949513

IUPAC1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCC(NC)c1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-15-9-5-7-13(16-2)12-10-17-14-8-4-3-6-11(12)14/h3-4,6,8,10,13,15-16H,5,7,9H2,1-2H3
InChIKeyNZSQNGUARXEORK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.69
Rot. Bonds6

About 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine

1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 116949513) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID116949513
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCC(NC)c1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-15-9-5-7-13(16-2)12-10-17-14-8-4-3-6-11(12)14/h3-4,6,8,10,13,15-16H,5,7,9H2,1-2H3
InChIKeyNZSQNGUARXEORK-UHFFFAOYSA-N
XLogP2.69
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-3-yl)-N-methyloct-7-en-1-amine
CID 107009609
3-(1-benzofuran-3-yl)-3-(methylamino)propanenitrile
CID 116955216
N,N'-dimethyl-1-(1-methylindol-3-yl)butane-1,4-diamine
CID 116949455
N,N'-dimethyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116949510
(1S)-1-(1-benzofuran-3-yl)pentan-1-amine
CID 165356907
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961416
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515
2-(1-benzofuran-3-yl)-2-(methylamino)acetonitrile
CID 116955062
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
1-(4-methoxy-2,3-dimethylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949463
1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116912387
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine (CID 116949513) is 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine is CNCCCC(NC)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is NZSQNGUARXEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-15-9-5-7-13(16-2)12-10-17-14-8-4-3-6-11(12)14/h3-4,6,8,10,13,15-16H,5,7,9H2,1-2H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine?
1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 116949513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).