9,10-dimethylphenanthridine-2,7-diamine

C15H15N3 — CID 21127949

IUPAC9,10-dimethylphenanthridine-2,7-diamine
SMILESCc1cc(N)c2cnc3ccc(N)cc3c2c1C
InChIInChI=1S/C15H15N3/c1-8-5-13(17)12-7-18-14-4-3-10(16)6-11(14)15(12)9(8)2/h3-7H,16-17H2,1-2H3
InChIKeyUBXRYGSGXUIHFQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.17
Rot. Bonds

About 9,10-dimethylphenanthridine-2,7-diamine

9,10-dimethylphenanthridine-2,7-diamine (PubChem CID 21127949) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 9,10-dimethylphenanthridine-2,7-diamine.

Molecular Properties

Compound Name9,10-dimethylphenanthridine-2,7-diamine
PubChem CID21127949
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name9,10-dimethylphenanthridine-2,7-diamine
SMILESCc1cc(N)c2cnc3ccc(N)cc3c2c1C
InChIInChI=1S/C15H15N3/c1-8-5-13(17)12-7-18-14-4-3-10(16)6-11(14)15(12)9(8)2/h3-7H,16-17H2,1-2H3
InChIKeyUBXRYGSGXUIHFQ-UHFFFAOYSA-N
XLogP3.17
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.17
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 9,10-dimethylphenanthridine-2,7-diamine?
The IUPAC name of 9,10-dimethylphenanthridine-2,7-diamine (CID 21127949) is 9,10-dimethylphenanthridine-2,7-diamine.
What is the SMILES notation for 9,10-dimethylphenanthridine-2,7-diamine?
The canonical SMILES for 9,10-dimethylphenanthridine-2,7-diamine is Cc1cc(N)c2cnc3ccc(N)cc3c2c1C.
What is the InChIKey of 9,10-dimethylphenanthridine-2,7-diamine?
The InChIKey is UBXRYGSGXUIHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-8-5-13(17)12-7-18-14-4-3-10(16)6-11(14)15(12)9(8)2/h3-7H,16-17H2,1-2H3.
What are the key properties of 9,10-dimethylphenanthridine-2,7-diamine?
9,10-dimethylphenanthridine-2,7-diamine has a molecular weight of 237.31 g/mol, XLogP of 3.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylphenanthridine-2,7-diamine is sourced from PubChem (CID 21127949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).