N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine

C17H25NO — CID 55195132

IUPACN-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
SMILESCCCCC(NCC)c1c(CC)oc2ccccc12
InChIInChI=1S/C17H25NO/c1-4-7-11-14(18-6-3)17-13-10-8-9-12-16(13)19-15(17)5-2/h8-10,12,14,18H,4-7,11H2,1-3H3
InChIKeyXWXBVJMLELGMPM-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.84
Rot. Bonds7

About N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine

N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine (PubChem CID 55195132) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
PubChem CID55195132
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine
SMILESCCCCC(NCC)c1c(CC)oc2ccccc12
InChIInChI=1S/C17H25NO/c1-4-7-11-14(18-6-3)17-13-10-8-9-12-16(13)19-15(17)5-2/h8-10,12,14,18H,4-7,11H2,1-3H3
InChIKeyXWXBVJMLELGMPM-UHFFFAOYSA-N
XLogP4.84
TPSA25.17 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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine?
The IUPAC name of N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine (CID 55195132) is N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine is CCCCC(NCC)c1c(CC)oc2ccccc12.
What is the InChIKey of N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine?
The InChIKey is XWXBVJMLELGMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-7-11-14(18-6-3)17-13-10-8-9-12-16(13)19-15(17)5-2/h8-10,12,14,18H,4-7,11H2,1-3H3.
What are the key properties of N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine?
N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethyl-1-benzofuran-3-yl)pentan-1-amine is sourced from PubChem (CID 55195132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).