1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine

C17H28N2O — CID 81490999

IUPAC1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H28N2O/c1-13(2)16(18)7-10-19(3)9-6-14-4-5-17-15(12-14)8-11-20-17/h4-5,12-13,16H,6-11,18H2,1-3H3
InChIKeyJAQOPWWWDWFAGK-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.47
Rot. Bonds7

About 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 81490999) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID81490999
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H28N2O/c1-13(2)16(18)7-10-19(3)9-6-14-4-5-17-15(12-14)8-11-20-17/h4-5,12-13,16H,6-11,18H2,1-3H3
InChIKeyJAQOPWWWDWFAGK-UHFFFAOYSA-N
XLogP2.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65444678
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]propane-1-thiol
CID 115225274
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfinyl]propan-2-amine
CID 81189992
3-amino-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylurea
CID 115193085
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylcyanamide
CID 117043556
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222534
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138234

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine (CID 81490999) is 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)CCc1ccc2c(c1)CCO2.
What is the InChIKey of 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is JAQOPWWWDWFAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)16(18)7-10-19(3)9-6-14-4-5-17-15(12-14)8-11-20-17/h4-5,12-13,16H,6-11,18H2,1-3H3.
What are the key properties of 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 81490999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).