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

C16H17N3 — CID 138399101

IUPAC5-ethyl-3-imino-6-methylphenanthridin-8-amine
SMILES[H]/N=c1\ccc2c3ccc(N)cc3c(C)n(CC)c-2c1
InChIInChI=1S/C16H17N3/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/b18-12+
InChIKeyDINQFGXYZLYRRH-LDADJPATSA-N
MW251.33 g/mol
LogP3.14
Rot. Bonds1

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

5-ethyl-3-imino-6-methylphenanthridin-8-amine (PubChem CID 138399101) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-ethyl-3-imino-6-methylphenanthridin-8-amine.

Molecular Properties

Compound Name5-ethyl-3-imino-6-methylphenanthridin-8-amine
PubChem CID138399101
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name5-ethyl-3-imino-6-methylphenanthridin-8-amine
SMILES[H]/N=c1\ccc2c3ccc(N)cc3c(C)n(CC)c-2c1
InChIInChI=1S/C16H17N3/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/b18-12+
InChIKeyDINQFGXYZLYRRH-LDADJPATSA-N
XLogP3.14
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.14
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?
The IUPAC name of 5-ethyl-3-imino-6-methylphenanthridin-8-amine (CID 138399101) is 5-ethyl-3-imino-6-methylphenanthridin-8-amine.
What is the SMILES notation for 5-ethyl-3-imino-6-methylphenanthridin-8-amine?
The canonical SMILES for 5-ethyl-3-imino-6-methylphenanthridin-8-amine is [H]/N=c1\ccc2c3ccc(N)cc3c(C)n(CC)c-2c1.
What is the InChIKey of 5-ethyl-3-imino-6-methylphenanthridin-8-amine?
The InChIKey is DINQFGXYZLYRRH-LDADJPATSA-N. The full InChI is InChI=1S/C16H17N3/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/b18-12+.
What are the key properties of 5-ethyl-3-imino-6-methylphenanthridin-8-amine?
5-ethyl-3-imino-6-methylphenanthridin-8-amine has a molecular weight of 251.33 g/mol, XLogP of 3.14, 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 is sourced from PubChem (CID 138399101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).