6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine

C14H20N2O — CID 70126228

IUPAC6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine
SMILESCNc1cc(/C=C/CCN)cc2c1CC(C)O2
InChIInChI=1S/C14H20N2O/c1-10-7-12-13(16-2)8-11(5-3-4-6-15)9-14(12)17-10/h3,5,8-10,16H,4,6-7,15H2,1-2H3/b5-3+
InChIKeyCZYQIOPMAZTGIK-HWKANZROSA-N
MW232.33 g/mol
LogP2.41
Rot. Bonds4

About 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine

6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine (PubChem CID 70126228) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine
PubChem CID70126228
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine
SMILESCNc1cc(/C=C/CCN)cc2c1CC(C)O2
InChIInChI=1S/C14H20N2O/c1-10-7-12-13(16-2)8-11(5-3-4-6-15)9-14(12)17-10/h3,5,8-10,16H,4,6-7,15H2,1-2H3/b5-3+
InChIKeyCZYQIOPMAZTGIK-HWKANZROSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 27562
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CID 3061528
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CID 164614127
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CID 91222898
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CID 82373058
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CID 86699283
CID 86699283

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine?
The IUPAC name of 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine (CID 70126228) is 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine.
What is the SMILES notation for 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine?
The canonical SMILES for 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine is CNc1cc(/C=C/CCN)cc2c1CC(C)O2.
What is the InChIKey of 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine?
The InChIKey is CZYQIOPMAZTGIK-HWKANZROSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-7-12-13(16-2)8-11(5-3-4-6-15)9-14(12)17-10/h3,5,8-10,16H,4,6-7,15H2,1-2H3/b5-3+.
What are the key properties of 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine?
6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine has a molecular weight of 232.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-4-aminobut-1-enyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-4-amine is sourced from PubChem (CID 70126228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).