1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine

C16H19NO — CID 150642299

IUPAC1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
SMILESC#CCC(CCC)C(N)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO/c1-3-7-12(8-4-2)16(17)15-11-13-9-5-6-10-14(13)18-15/h1,5-6,9-12,16H,4,7-8,17H2,2H3
InChIKeyJAEAQHADYZZEHV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.87
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine

1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine (PubChem CID 150642299) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
PubChem CID150642299
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
SMILESC#CCC(CCC)C(N)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO/c1-3-7-12(8-4-2)16(17)15-11-13-9-5-6-10-14(13)18-15/h1,5-6,9-12,16H,4,7-8,17H2,2H3
InChIKeyJAEAQHADYZZEHV-UHFFFAOYSA-N
XLogP3.87
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359
1-(1-benzofuran-2-yl)-2-ethoxypropan-1-amine
CID 114728782
1-(1-benzofuran-2-yl)hex-4-yn-1-amine
CID 104805595
1-(1-benzofuran-2-yl)pentan-2-amine
CID 139946655
1-(1-benzofuran-2-yl)-2-propoxyethanamine
CID 43247970
2-amino-1-(1-benzofuran-2-yl)pent-4-yn-1-one
CID 114737293
(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
CID 139947537
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-N-prop-2-ynylpentan-2-amine;hydrochloride
CID 139947531
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 107568604
1-(1-benzofuran-2-yl)-2-(2-propoxyethoxy)ethanamine
CID 63685636
2-butan-2-yl-1-benzofuran
CID 12065919

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine (CID 150642299) is 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine is C#CCC(CCC)C(N)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine?
The InChIKey is JAEAQHADYZZEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-7-12(8-4-2)16(17)15-11-13-9-5-6-10-14(13)18-15/h1,5-6,9-12,16H,4,7-8,17H2,2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine?
1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine is sourced from PubChem (CID 150642299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).