(2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine

C20H27NO — CID 53238867

IUPAC(2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine
SMILESNC/C=C1/c2c(ccc3c2CCO3)CC1CC1CCCCC1
InChIInChI=1S/C20H27NO/c21-10-8-17-16(12-14-4-2-1-3-5-14)13-15-6-7-19-18(20(15)17)9-11-22-19/h6-8,14,16H,1-5,9-13,21H2/b17-8+
InChIKeyBANZALITKWBRSZ-CAOOACKPSA-N
MW297.44 g/mol
LogP4.11
Rot. Bonds3

About (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine

(2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine (PubChem CID 53238867) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine.

Molecular Properties

Compound Name(2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine
PubChem CID53238867
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name(2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine
SMILESNC/C=C1/c2c(ccc3c2CCO3)CC1CC1CCCCC1
InChIInChI=1S/C20H27NO/c21-10-8-17-16(12-14-4-2-1-3-5-14)13-15-6-7-19-18(20(15)17)9-11-22-19/h6-8,14,16H,1-5,9-13,21H2/b17-8+
InChIKeyBANZALITKWBRSZ-CAOOACKPSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine?
The IUPAC name of (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine (CID 53238867) is (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine.
What is the SMILES notation for (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine?
The canonical SMILES for (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine is NC/C=C1/c2c(ccc3c2CCO3)CC1CC1CCCCC1.
What is the InChIKey of (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine?
The InChIKey is BANZALITKWBRSZ-CAOOACKPSA-N. The full InChI is InChI=1S/C20H27NO/c21-10-8-17-16(12-14-4-2-1-3-5-14)13-15-6-7-19-18(20(15)17)9-11-22-19/h6-8,14,16H,1-5,9-13,21H2/b17-8+.
What are the key properties of (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine?
(2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine has a molecular weight of 297.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[7-(cyclohexylmethyl)-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene]ethanamine is sourced from PubChem (CID 53238867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).