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

C17H19N3 — CID 138396999

IUPAC5,6-diethyl-3-iminophenanthridin-8-amine
SMILES[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(CC)c-2c1
InChIInChI=1S/C17H19N3/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/b19-12+
InChIKeyNHTMTPHAAJCDNJ-XDHOZWIPSA-N
MW265.36 g/mol
LogP3.39
Rot. Bonds2

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

5,6-diethyl-3-iminophenanthridin-8-amine (PubChem CID 138396999) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5,6-diethyl-3-iminophenanthridin-8-amine.

Molecular Properties

Compound Name5,6-diethyl-3-iminophenanthridin-8-amine
PubChem CID138396999
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5,6-diethyl-3-iminophenanthridin-8-amine
SMILES[H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(CC)c-2c1
InChIInChI=1S/C17H19N3/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/b19-12+
InChIKeyNHTMTPHAAJCDNJ-XDHOZWIPSA-N
XLogP3.39
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.39
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?
The IUPAC name of 5,6-diethyl-3-iminophenanthridin-8-amine (CID 138396999) is 5,6-diethyl-3-iminophenanthridin-8-amine.
What is the SMILES notation for 5,6-diethyl-3-iminophenanthridin-8-amine?
The canonical SMILES for 5,6-diethyl-3-iminophenanthridin-8-amine is [H]/N=c1\ccc2c3ccc(N)cc3c(CC)n(CC)c-2c1.
What is the InChIKey of 5,6-diethyl-3-iminophenanthridin-8-amine?
The InChIKey is NHTMTPHAAJCDNJ-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19N3/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/b19-12+.
What are the key properties of 5,6-diethyl-3-iminophenanthridin-8-amine?
5,6-diethyl-3-iminophenanthridin-8-amine has a molecular weight of 265.36 g/mol, XLogP of 3.39, 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 is sourced from PubChem (CID 138396999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).