(E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine

C18H23NO — CID 127050914

IUPAC(E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/C1CCCC1)Cc1cccc2ccoc12
InChIInChI=1S/C18H23NO/c1-19(12-5-8-15-6-2-3-7-15)14-17-10-4-9-16-11-13-20-18(16)17/h4-5,8-11,13,15H,2-3,6-7,12,14H2,1H3/b8-5+
InChIKeyPXQRQEDGRGRAAB-VMPITWQZSA-N
MW269.39 g/mol
LogP4.61
Rot. Bonds5

About (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine

(E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine (PubChem CID 127050914) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine
PubChem CID127050914
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/C1CCCC1)Cc1cccc2ccoc12
InChIInChI=1S/C18H23NO/c1-19(12-5-8-15-6-2-3-7-15)14-17-10-4-9-16-11-13-20-18(16)17/h4-5,8-11,13,15H,2-3,6-7,12,14H2,1H3/b8-5+
InChIKeyPXQRQEDGRGRAAB-VMPITWQZSA-N
XLogP4.61
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine (CID 127050914) is (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine is CN(C/C=C/C1CCCC1)Cc1cccc2ccoc12.
What is the InChIKey of (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine?
The InChIKey is PXQRQEDGRGRAAB-VMPITWQZSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(12-5-8-15-6-2-3-7-15)14-17-10-4-9-16-11-13-20-18(16)17/h4-5,8-11,13,15H,2-3,6-7,12,14H2,1H3/b8-5+.
What are the key properties of (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine?
(E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine has a molecular weight of 269.39 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine is sourced from PubChem (CID 127050914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).