1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine

C16H24N2O — CID 116905700

IUPAC1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
SMILESCN(C)C(c1coc2ccccc12)C(C)(C)CCN
InChIInChI=1S/C16H24N2O/c1-16(2,9-10-17)15(18(3)4)13-11-19-14-8-6-5-7-12(13)14/h5-8,11,15H,9-10,17H2,1-4H3
InChIKeyKVGFFWYBWSRAMK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.41
Rot. Bonds5

About 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine

1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine (PubChem CID 116905700) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
PubChem CID116905700
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine
SMILESCN(C)C(c1coc2ccccc12)C(C)(C)CCN
InChIInChI=1S/C16H24N2O/c1-16(2,9-10-17)15(18(3)4)13-11-19-14-8-6-5-7-12(13)14/h5-8,11,15H,9-10,17H2,1-4H3
InChIKeyKVGFFWYBWSRAMK-UHFFFAOYSA-N
XLogP3.41
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914399
1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
1-(1-benzofuran-3-yl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905955
1-[1-(aminomethyl)cyclopropyl]-1-(1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 116912315
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462
1-(1-benzofuran-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031752
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863
1-(1-benzofuran-3-yl)-N,N-dimethyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116912387
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961416

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine?
The IUPAC name of 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine (CID 116905700) is 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine?
The canonical SMILES for 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine is CN(C)C(c1coc2ccccc12)C(C)(C)CCN.
What is the InChIKey of 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine?
The InChIKey is KVGFFWYBWSRAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,9-10-17)15(18(3)4)13-11-19-14-8-6-5-7-12(13)14/h5-8,11,15H,9-10,17H2,1-4H3.
What are the key properties of 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine?
1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-N,N,2,2-tetramethylbutane-1,4-diamine is sourced from PubChem (CID 116905700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).