anthracen-9-ylmethyl(dimethyl)azanium

C17H18N+ — CID 2308806

IUPACanthracen-9-ylmethyl(dimethyl)azanium
SMILESC[NH+](C)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17N/c1-18(2)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,12H2,1-2H3/p+1
InChIKeyFICKEBFJBLMGHG-UHFFFAOYSA-O
MW236.34 g/mol
LogP2.64
Rot. Bonds2

About anthracen-9-ylmethyl(dimethyl)azanium

anthracen-9-ylmethyl(dimethyl)azanium (PubChem CID 2308806) has the molecular formula C17H18N+ and a molecular weight of 236.34 g/mol. Its IUPAC name is anthracen-9-ylmethyl(dimethyl)azanium.

Molecular Properties

Compound Nameanthracen-9-ylmethyl(dimethyl)azanium
PubChem CID2308806
Molecular FormulaC17H18N+
Molecular Weight236.34 g/mol
Exact Mass236.14
IUPAC Nameanthracen-9-ylmethyl(dimethyl)azanium
SMILESC[NH+](C)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H17N/c1-18(2)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,12H2,1-2H3/p+1
InChIKeyFICKEBFJBLMGHG-UHFFFAOYSA-O
XLogP2.64
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl(dimethyl)azanium?
The IUPAC name of anthracen-9-ylmethyl(dimethyl)azanium (CID 2308806) is anthracen-9-ylmethyl(dimethyl)azanium.
What is the SMILES notation for anthracen-9-ylmethyl(dimethyl)azanium?
The canonical SMILES for anthracen-9-ylmethyl(dimethyl)azanium is C[NH+](C)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl(dimethyl)azanium?
The InChIKey is FICKEBFJBLMGHG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17N/c1-18(2)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,12H2,1-2H3/p+1.
What are the key properties of anthracen-9-ylmethyl(dimethyl)azanium?
anthracen-9-ylmethyl(dimethyl)azanium has a molecular weight of 236.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl(dimethyl)azanium is sourced from PubChem (CID 2308806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).