2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

C16H24N2O — CID 115133037

IUPAC2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1coc2ccccc12
InChIInChI=1S/C16H24N2O/c1-16(2,12-17-3)18(4)10-9-13-11-19-15-8-6-5-7-14(13)15/h5-8,11,17H,9-10,12H2,1-4H3
InChIKeyNWBBGZPSNSHHTK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.91
Rot. Bonds6

About 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115133037) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115133037
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1coc2ccccc12
InChIInChI=1S/C16H24N2O/c1-16(2,12-17-3)18(4)10-9-13-11-19-15-8-6-5-7-14(13)15/h5-8,11,17H,9-10,12H2,1-4H3
InChIKeyNWBBGZPSNSHHTK-UHFFFAOYSA-N
XLogP2.91
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-benzofuran-3-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128171
1-N,2-N,2-trimethyl-2-N-[2-(2-methylphenyl)ethyl]propane-1,2-diamine
CID 115133027
2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132762
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
2-amino-3-[2-(1-benzofuran-3-yl)ethyl-methylamino]propan-1-ol
CID 115120994
2-N-[2-(2,5-dimethylphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132993
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
CID 115166767
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
CID 115128507

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115133037) is 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)CCc1coc2ccccc12.
What is the InChIKey of 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is NWBBGZPSNSHHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,12-17-3)18(4)10-9-13-11-19-15-8-6-5-7-14(13)15/h5-8,11,17H,9-10,12H2,1-4H3.
What are the key properties of 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115133037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).