5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide

Name: 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₃₈BrN₃ — CID 138400999

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide

SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(CCCCCCCCCCC)n(CC)c-2c1

InChIInChI=1S/C26H37N3.BrH/c1-3-5-6-7-8-9-10-11-12-13-25-24-18-20(27)14-16-22(24)23-17-15-21(28)19-26(23)29(25)4-2;/h14-19,28H,3-13,27H2,1-2H3;1H/b28-21+;

InChIKeyZICIWARMMZECFI-HUPDFLJJSA-N

MW472.52 g/mol

LogP7.48

Rot. Bonds11

About 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide

5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide (PubChem CID 138400999) has the molecular formula C₂₆H₃₈BrN₃ and a molecular weight of 472.52 g/mol. Its IUPAC name is 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide.

Molecular Properties

Compound Name	5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide
PubChem CID	138400999
Molecular Formula	C₂₆H₃₈BrN₃
Molecular Weight	472.52 g/mol
Exact Mass	471.22
IUPAC Name	5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide
SMILES	Br.[H]/N=c1\ccc2c3ccc(N)cc3c(CCCCCCCCCCC)n(CC)c-2c1
InChI	InChI=1S/C26H37N3.BrH/c1-3-5-6-7-8-9-10-11-12-13-25-24-18-20(27)14-16-22(24)23-17-15-21(28)19-26(23)29(25)4-2;/h14-19,28H,3-13,27H2,1-2H3;1H/b28-21+;
InChIKey	ZICIWARMMZECFI-HUPDFLJJSA-N
XLogP	7.48
TPSA	54.80 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	11
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide?

The IUPAC name of 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide (CID 138400999) is 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide.

What is the SMILES notation for 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide?

The canonical SMILES for 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide is Br.[H]/N=c1\ccc2c3ccc(N)cc3c(CCCCCCCCCCC)n(CC)c-2c1.

What is the InChIKey of 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide?

The InChIKey is ZICIWARMMZECFI-HUPDFLJJSA-N. The full InChI is InChI=1S/C26H37N3.BrH/c1-3-5-6-7-8-9-10-11-12-13-25-24-18-20(27)14-16-22(24)23-17-15-21(28)19-26(23)29(25)4-2;/h14-19,28H,3-13,27H2,1-2H3;1H/b28-21+;.

What are the key properties of 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide?

5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide has a molecular weight of 472.52 g/mol, XLogP of 7.48, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-3-imino-6-undecylphenanthridin-8-amine;hydrobromide is sourced from PubChem (CID 138400999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 138400999 — identifiers, structure, computed properties (public domain)

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