6-N,6-N-dimethylphenanthridine-3,6,8-triamine

C15H16N4 — CID 23314008

IUPAC6-N,6-N-dimethylphenanthridine-3,6,8-triamine
SMILESCN(C)c1nc2cc(N)ccc2c2ccc(N)cc12
InChIInChI=1S/C15H16N4/c1-19(2)15-13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)18-15/h3-8H,16-17H2,1-2H3
InChIKeyMVEGBSMMTJJPDN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.62
Rot. Bonds1

About 6-N,6-N-dimethylphenanthridine-3,6,8-triamine

6-N,6-N-dimethylphenanthridine-3,6,8-triamine (PubChem CID 23314008) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-N,6-N-dimethylphenanthridine-3,6,8-triamine.

Molecular Properties

Compound Name6-N,6-N-dimethylphenanthridine-3,6,8-triamine
PubChem CID23314008
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name6-N,6-N-dimethylphenanthridine-3,6,8-triamine
SMILESCN(C)c1nc2cc(N)ccc2c2ccc(N)cc12
InChIInChI=1S/C15H16N4/c1-19(2)15-13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)18-15/h3-8H,16-17H2,1-2H3
InChIKeyMVEGBSMMTJJPDN-UHFFFAOYSA-N
XLogP2.62
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-N,6-N-dimethylphenanthridine-3,6,8-triamine?
The IUPAC name of 6-N,6-N-dimethylphenanthridine-3,6,8-triamine (CID 23314008) is 6-N,6-N-dimethylphenanthridine-3,6,8-triamine.
What is the SMILES notation for 6-N,6-N-dimethylphenanthridine-3,6,8-triamine?
The canonical SMILES for 6-N,6-N-dimethylphenanthridine-3,6,8-triamine is CN(C)c1nc2cc(N)ccc2c2ccc(N)cc12.
What is the InChIKey of 6-N,6-N-dimethylphenanthridine-3,6,8-triamine?
The InChIKey is MVEGBSMMTJJPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-19(2)15-13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)18-15/h3-8H,16-17H2,1-2H3.
What are the key properties of 6-N,6-N-dimethylphenanthridine-3,6,8-triamine?
6-N,6-N-dimethylphenanthridine-3,6,8-triamine has a molecular weight of 252.32 g/mol, XLogP of 2.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethylphenanthridine-3,6,8-triamine is sourced from PubChem (CID 23314008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).