5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide

C17H20BrN3 — CID 138396998

IUPAC5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide
SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(CC)c-2c1
InChIInChI=1S/C17H19N3.BrH/c1-3-16-15-9-11(18)5-7-13(15)14-8-6-12(19)10-17(14)20(16)4-2;/h5-10,19H,3-4,18H2,1-2H3;1H/b19-12+;
InChIKeySNCDNBOAGQYXIZ-NNTHFVATSA-N
MW346.27 g/mol
LogP3.97
Rot. Bonds2

About 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide

5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide (PubChem CID 138396998) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide.

Molecular Properties

Compound Name5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide
PubChem CID138396998
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide
SMILESBr.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(CC)c-2c1
InChIInChI=1S/C17H19N3.BrH/c1-3-16-15-9-11(18)5-7-13(15)14-8-6-12(19)10-17(14)20(16)4-2;/h5-10,19H,3-4,18H2,1-2H3;1H/b19-12+;
InChIKeySNCDNBOAGQYXIZ-NNTHFVATSA-N
XLogP3.97
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.97
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 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide?
The IUPAC name of 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide (CID 138396998) is 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide.
What is the SMILES notation for 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide?
The canonical SMILES for 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide is Br.[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(CC)c-2c1.
What is the InChIKey of 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide?
The InChIKey is SNCDNBOAGQYXIZ-NNTHFVATSA-N. The full InChI is InChI=1S/C17H19N3.BrH/c1-3-16-15-9-11(18)5-7-13(15)14-8-6-12(19)10-17(14)20(16)4-2;/h5-10,19H,3-4,18H2,1-2H3;1H/b19-12+;.
What are the key properties of 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide?
5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide has a molecular weight of 346.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-iminophenanthridin-8-amine;hydrobromide is sourced from PubChem (CID 138396998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).