N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine

C15H17NO — CID 115725359

IUPACN-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO/c1-4-7-11(2)16-12(3)15-10-13-8-5-6-9-14(13)17-15/h1,5-6,8-12,16H,7H2,2-3H3
InChIKeyOTMULPMAFOOUEW-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine

N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine (PubChem CID 115725359) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
PubChem CID115725359
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
SMILESC#CCC(C)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO/c1-4-7-11(2)16-12(3)15-10-13-8-5-6-9-14(13)17-15/h1,5-6,8-12,16H,7H2,2-3H3
InChIKeyOTMULPMAFOOUEW-UHFFFAOYSA-N
XLogP3.50
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.50
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]butan-2-amine
CID 43190306
N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471730
N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
CID 63944731
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
1-(1-benzofuran-2-yl)-2-propylpent-4-yn-1-amine
CID 150642299
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
CID 115661722
N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62631823
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutan-1-amine
CID 43224187
(1S)-N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81353159
N-[1-(1-benzofuran-2-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43205961
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine (CID 115725359) is N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine is C#CCC(C)NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine?
The InChIKey is OTMULPMAFOOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-4-7-11(2)16-12(3)15-10-13-8-5-6-9-14(13)17-15/h1,5-6,8-12,16H,7H2,2-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine?
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine has a molecular weight of 227.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine is sourced from PubChem (CID 115725359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).