1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine

C17H25NO — CID 114475790

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)C1Cc2ccccc2O1
InChIInChI=1S/C17H25NO/c1-4-11-18-15(10-9-13(2)3)17-12-14-7-5-6-8-16(14)19-17/h5-8,15,17-18H,2,4,9-12H2,1,3H3
InChIKeyZYWSTKGWSTXNCZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.71
Rot. Bonds7

About 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine

1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 114475790) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID114475790
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)C1Cc2ccccc2O1
InChIInChI=1S/C17H25NO/c1-4-11-18-15(10-9-13(2)3)17-12-14-7-5-6-8-16(14)19-17/h5-8,15,17-18H,2,4,9-12H2,1,3H3
InChIKeyZYWSTKGWSTXNCZ-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
CID 105263013
1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107894211
4-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pent-4-en-1-amine
CID 114474715
1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177519
1-(2,3-dihydro-1H-inden-2-yl)-N-ethyl-4-methylpent-4-en-1-amine
CID 114475034
1-(2,3-dihydro-1-benzofuran-2-yl)heptylhydrazine
CID 105262982
N-[2,3-dihydro-1-benzofuran-2-yl-(4-methylphenyl)methyl]propan-1-amine
CID 43495091
N-[cycloheptyl(2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 82932855
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N,4-dimethylpent-4-en-1-amine
CID 106601538
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutyl]hydrazine
CID 105262824
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpent-4-en-1-amine
CID 114474946
1-(3,4-dihydro-2H-chromen-3-yl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79180444

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine (CID 114475790) is 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)C1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is ZYWSTKGWSTXNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-11-18-15(10-9-13(2)3)17-12-14-7-5-6-8-16(14)19-17/h5-8,15,17-18H,2,4,9-12H2,1,3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 114475790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).