OELPTSWZDCDKSB-UHFFFAOYSA-N

C₈H₁₃N — CID 15392411

About OELPTSWZDCDKSB-UHFFFAOYSA-N

OELPTSWZDCDKSB-UHFFFAOYSA-N (PubChem CID 15392411) has the molecular formula C₈H₁₃N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine.

Molecular Properties

• Compound Name: OELPTSWZDCDKSB-UHFFFAOYSA-N
• PubChem CID: 15392411
• Molecular Formula: C₈H₁₃N
• Molecular Weight: 123.20 g/mol
• Exact Mass: 123.10
• IUPAC Name: 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine
• SMILES: CNCCC1=CC=CC1
• InChI: InChI=1S/C8H13N/c1-9-7-6-8-4-2-3-5-8/h2-4,9H,5-7H2,1H3
• InChIKey: OELPTSWZDCDKSB-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 9
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	123.20
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of OELPTSWZDCDKSB-UHFFFAOYSA-N?

The IUPAC name of OELPTSWZDCDKSB-UHFFFAOYSA-N (CID 15392411) is 2-cyclopenta-1,3-dien-1-yl-N-methylethanamine.

What is the SMILES notation for OELPTSWZDCDKSB-UHFFFAOYSA-N?

The canonical SMILES for OELPTSWZDCDKSB-UHFFFAOYSA-N is CNCCC1=CC=CC1.

What is the InChIKey of OELPTSWZDCDKSB-UHFFFAOYSA-N?

The InChIKey is OELPTSWZDCDKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-9-7-6-8-4-2-3-5-8/h2-4,9H,5-7H2,1H3.

What are the key properties of OELPTSWZDCDKSB-UHFFFAOYSA-N?

OELPTSWZDCDKSB-UHFFFAOYSA-N has a molecular weight of 123.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for OELPTSWZDCDKSB-UHFFFAOYSA-N is sourced from PubChem (CID 15392411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15392411 — identifiers, structure, computed properties (public domain)

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