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

C16H18BrN3 — CID 138399100

IUPAC5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide
SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(C)n(CC)c-2c1
InChIInChI=1S/C16H17N3.BrH/c1-3-19-10(2)15-8-11(17)4-6-13(15)14-7-5-12(18)9-16(14)19;/h4-9,18H,3,17H2,1-2H3;1H/b18-12+;
InChIKeySBCOKBDLUXXQLV-XMMWENQYSA-N
MW332.25 g/mol
LogP3.71
Rot. Bonds1

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

5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide (PubChem CID 138399100) has the molecular formula C16H18BrN3 and a molecular weight of 332.25 g/mol. Its IUPAC name is 5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide.

Molecular Properties

Compound Name5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide
PubChem CID138399100
Molecular FormulaC16H18BrN3
Molecular Weight332.25 g/mol
Exact Mass331.07
IUPAC Name5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide
SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(C)n(CC)c-2c1
InChIInChI=1S/C16H17N3.BrH/c1-3-19-10(2)15-8-11(17)4-6-13(15)14-7-5-12(18)9-16(14)19;/h4-9,18H,3,17H2,1-2H3;1H/b18-12+;
InChIKeySBCOKBDLUXXQLV-XMMWENQYSA-N
XLogP3.71
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide?
The IUPAC name of 5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide (CID 138399100) is 5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide.
What is the SMILES notation for 5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide?
The canonical SMILES for 5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide is Br.[H]/N=c1\ccc2c3ccc(N)cc3c(C)n(CC)c-2c1.
What is the InChIKey of 5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide?
The InChIKey is SBCOKBDLUXXQLV-XMMWENQYSA-N. The full InChI is InChI=1S/C16H17N3.BrH/c1-3-19-10(2)15-8-11(17)4-6-13(15)14-7-5-12(18)9-16(14)19;/h4-9,18H,3,17H2,1-2H3;1H/b18-12+;.
What are the key properties of 5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide?
5-ethyl-3-imino-6-methylphenanthridin-8-amine;hydrobromide has a molecular weight of 332.25 g/mol, XLogP of 3.71, 1 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-methylphenanthridin-8-amine;hydrobromide is sourced from PubChem (CID 138399100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).