acridine;methane

C14H13N — CID 21324126

IUPACacridine;methane
SMILESC.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H4
InChIKeyMIHMCYNRHHJLSK-UHFFFAOYSA-N
MW195.26 g/mol
LogP4.02
Rot. Bonds

About acridine;methane

acridine;methane (PubChem CID 21324126) has the molecular formula C14H13N and a molecular weight of 195.26 g/mol. Its IUPAC name is acridine;methane.

Molecular Properties

Compound Nameacridine;methane
PubChem CID21324126
Molecular FormulaC14H13N
Molecular Weight195.26 g/mol
Exact Mass195.10
IUPAC Nameacridine;methane
SMILESC.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H4
InChIKeyMIHMCYNRHHJLSK-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

acridine
CID 21226281
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;dihydrate
CID 172843020
acridine;argon
CID 157415582
acridine;ethane
CID 123684759
benzo[b]acridine
CID 6451416
acridine;acridine-3,6-diamine
CID 21276006
acridine;heptane
CID 158562494
CID 88620951
CID 88620951
2H-pyrrolo[3,4-b]quinoline;hydrochloride
CID 69479066
N,N-dimethylacridin-3-amine
CID 15294363

Frequently Asked Questions

What is the IUPAC name of acridine;methane?
The IUPAC name of acridine;methane (CID 21324126) is acridine;methane.
What is the SMILES notation for acridine;methane?
The canonical SMILES for acridine;methane is C.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;methane?
The InChIKey is MIHMCYNRHHJLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.CH4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H4.
What are the key properties of acridine;methane?
acridine;methane has a molecular weight of 195.26 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;methane is sourced from PubChem (CID 21324126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).