2-[2-(9H-carbazol-3-yl)ethyl]guanidine

C₁₅H₁₆N₄ — CID 145315534

About 2-[2-(9H-carbazol-3-yl)ethyl]guanidine

2-[2-(9H-carbazol-3-yl)ethyl]guanidine (PubChem CID 145315534) has the molecular formula C₁₅H₁₆N₄ and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-3-yl)ethyl]guanidine.

Molecular Properties

• Compound Name: 2-[2-(9H-carbazol-3-yl)ethyl]guanidine
• PubChem CID: 145315534
• Molecular Formula: C₁₅H₁₆N₄
• Molecular Weight: 252.32 g/mol
• Exact Mass: 252.14
• IUPAC Name: 2-[2-(9H-carbazol-3-yl)ethyl]guanidine
• SMILES: NC(N)=NCCc1ccc2[nH]c3ccccc3c2c1
• InChI: InChI=1S/C15H16N4/c16-15(17)18-8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)19-14/h1-6,9,19H,7-8H2,(H4,16,17,18)
• InChIKey: JKFWHSLFKFQDOF-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 80.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.32
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-3-yl)ethyl]guanidine?

The IUPAC name of 2-[2-(9H-carbazol-3-yl)ethyl]guanidine (CID 145315534) is 2-[2-(9H-carbazol-3-yl)ethyl]guanidine.

What is the SMILES notation for 2-[2-(9H-carbazol-3-yl)ethyl]guanidine?

The canonical SMILES for 2-[2-(9H-carbazol-3-yl)ethyl]guanidine is NC(N)=NCCc1ccc2[nH]c3ccccc3c2c1.

What is the InChIKey of 2-[2-(9H-carbazol-3-yl)ethyl]guanidine?

The InChIKey is JKFWHSLFKFQDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-15(17)18-8-7-10-5-6-14-12(9-10)11-3-1-2-4-13(11)19-14/h1-6,9,19H,7-8H2,(H4,16,17,18).

What are the key properties of 2-[2-(9H-carbazol-3-yl)ethyl]guanidine?

2-[2-(9H-carbazol-3-yl)ethyl]guanidine has a molecular weight of 252.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(9H-carbazol-3-yl)ethyl]guanidine is sourced from PubChem (CID 145315534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145315534 — identifiers, structure, computed properties (public domain)

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