6,7-dimethylphenanthridin-5-ium-5-amine

C15H15N2+ — CID 123855150

IUPAC6,7-dimethylphenanthridin-5-ium-5-amine
SMILESCc1cccc2c1c(C)[n+](N)c1ccccc21
InChIInChI=1S/C15H15N2/c1-10-6-5-8-13-12-7-3-4-9-14(12)17(16)11(2)15(10)13/h3-9H,16H2,1-2H3/q+1
InChIKeyICKPZCXWCYKRMQ-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.61
Rot. Bonds

About 6,7-dimethylphenanthridin-5-ium-5-amine

6,7-dimethylphenanthridin-5-ium-5-amine (PubChem CID 123855150) has the molecular formula C15H15N2+ and a molecular weight of 223.30 g/mol. Its IUPAC name is 6,7-dimethylphenanthridin-5-ium-5-amine.

Molecular Properties

Compound Name6,7-dimethylphenanthridin-5-ium-5-amine
PubChem CID123855150
Molecular FormulaC15H15N2+
Molecular Weight223.30 g/mol
Exact Mass223.12
IUPAC Name6,7-dimethylphenanthridin-5-ium-5-amine
SMILESCc1cccc2c1c(C)[n+](N)c1ccccc21
InChIInChI=1S/C15H15N2/c1-10-6-5-8-13-12-7-3-4-9-14(12)17(16)11(2)15(10)13/h3-9H,16H2,1-2H3/q+1
InChIKeyICKPZCXWCYKRMQ-UHFFFAOYSA-N
XLogP2.61
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,5,12-trimethyltriphenylene
CID 102264978
1,12-dimethyl-2-phenylimidazo[1,2-f]phenanthridin-4-ium
CID 155616035
21-methylhexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
CID 17876
1,5-dimethylnaphthalene
CID 162159355
11,14-dimethyl-15-thia-14-aza-1-azoniahexacyclo[10.8.1.113,16.02,7.08,21.020,22]docosa-1(20),2,4,6,8(21),9,11,13(22),16,18-decaene
CID 166029922
1-methyldibenzothiophene
CID 23839
5-methyl-6-(2-methylphenyl)phenanthridin-5-ium
CID 169322524
1-methylbenzo[c]cinnoline
CID 135059712
3,4,9-trimethylperylene
CID 59598979
4,5-dimethylphenanthro[9,10-b]pyridine
CID 140895992
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
1,2-xylene
CID 173422016

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethylphenanthridin-5-ium-5-amine?
The IUPAC name of 6,7-dimethylphenanthridin-5-ium-5-amine (CID 123855150) is 6,7-dimethylphenanthridin-5-ium-5-amine.
What is the SMILES notation for 6,7-dimethylphenanthridin-5-ium-5-amine?
The canonical SMILES for 6,7-dimethylphenanthridin-5-ium-5-amine is Cc1cccc2c1c(C)[n+](N)c1ccccc21.
What is the InChIKey of 6,7-dimethylphenanthridin-5-ium-5-amine?
The InChIKey is ICKPZCXWCYKRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2/c1-10-6-5-8-13-12-7-3-4-9-14(12)17(16)11(2)15(10)13/h3-9H,16H2,1-2H3/q+1.
What are the key properties of 6,7-dimethylphenanthridin-5-ium-5-amine?
6,7-dimethylphenanthridin-5-ium-5-amine has a molecular weight of 223.30 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylphenanthridin-5-ium-5-amine is sourced from PubChem (CID 123855150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).