N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine

C17H21NO — CID 105179544

IUPACN-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H21NO/c1-4-6-7-8-15(18-5-2)17-12-14-11-13(3)9-10-16(14)19-17/h1,9-12,15,18H,5-8H2,2-3H3
InChIKeyBCJKVUBRXDEFIO-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.20
Rot. Bonds6

About N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine

N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine (PubChem CID 105179544) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine
PubChem CID105179544
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine
SMILESC#CCCCC(NCC)c1cc2cc(C)ccc2o1
InChIInChI=1S/C17H21NO/c1-4-6-7-8-15(18-5-2)17-12-14-11-13(3)9-10-16(14)19-17/h1,9-12,15,18H,5-8H2,2-3H3
InChIKeyBCJKVUBRXDEFIO-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylsulfanyl-N-ethyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114728947
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163930
N-methyl-1-(5-methyl-1-benzofuran-2-yl)heptan-1-amine
CID 105045111
N,2-diethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045193
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105177921
1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
1-(1-benzofuran-2-yl)-N-ethylhexan-1-amine
CID 63418453
[3-ethoxy-1-(5-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338315
1-(5-methyl-1-benzofuran-2-yl)hex-5-enylhydrazine
CID 105311268
1-(3-bromo-5-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033647
N-ethyl-1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179743
1-(5-bromo-2-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033738

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine?
The IUPAC name of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine (CID 105179544) is N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine?
The canonical SMILES for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine is C#CCCCC(NCC)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine?
The InChIKey is BCJKVUBRXDEFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-6-7-8-15(18-5-2)17-12-14-11-13(3)9-10-16(14)19-17/h1,9-12,15,18H,5-8H2,2-3H3.
What are the key properties of N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine?
N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine has a molecular weight of 255.36 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyl-1-benzofuran-2-yl)hex-5-yn-1-amine is sourced from PubChem (CID 105179544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).