N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine

C₁₈H₂₇N — CID 63450607

About N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine

N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine (PubChem CID 63450607) has the molecular formula C₁₈H₂₇N and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine.

Molecular Properties

• Compound Name: N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
• PubChem CID: 63450607
• Molecular Formula: C₁₈H₂₇N
• Molecular Weight: 257.42 g/mol
• Exact Mass: 257.21
• IUPAC Name: N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
• SMILES: CC(NCCC1CCCC1)c1ccc2c(c1)CCC2
• InChI: InChI=1S/C18H27N/c1-14(19-12-11-15-5-2-3-6-15)17-10-9-16-7-4-8-18(16)13-17/h9-10,13-15,19H,2-8,11-12H2,1H3
• InChIKey: MVDVAQRUJMITMR-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	257.42
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine?

The IUPAC name of N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine (CID 63450607) is N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine.

What is the SMILES notation for N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine?

The canonical SMILES for N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine is CC(NCCC1CCCC1)c1ccc2c(c1)CCC2.

What is the InChIKey of N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine?

The InChIKey is MVDVAQRUJMITMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14(19-12-11-15-5-2-3-6-15)17-10-9-16-7-4-8-18(16)13-17/h9-10,13-15,19H,2-8,11-12H2,1H3.

What are the key properties of N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine?

N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine is sourced from PubChem (CID 63450607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63450607 — identifiers, structure, computed properties (public domain)

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